1-Methyl-1,2,3-triazole - CAS 16681-65-5
Catalog: |
BB012319 |
Product Name: |
1-Methyl-1,2,3-triazole |
CAS: |
16681-65-5 |
Synonyms: |
1-methyltriazole; 1-methyltriazole |
IUPAC Name: | 1-methyltriazole |
Description: | An azole compound used for binding affinity with various cytochrome P 450 (CYP) proteins. |
Molecular Weight: | 83.09 |
Molecular Formula: | C3H5N3 |
Canonical SMILES: | CN1C=CN=N1 |
InChI: | InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3 |
InChI Key: | JWAWEQBUZOGIBZ-UHFFFAOYSA-N |
Boiling Point: | 223-225 ℃ |
Density: | 1.17 g/cm3 |
MDL: | MFCD09743793 |
LogP: | -0.18490 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2016176864-A1 | Novel tricyclic compounds as anticancer agents | 20141223 |
WO-2015179308-A1 | Boronic acid derivatives and therapeutic uses thereof | 20140519 |
WO-2015160634-A1 | Factor ixa inhibitors | 20140416 |
WO-2015160636-A1 | Factor ixa inhibitors | 20140416 |
US-2015266867-A1 | Monobactam organic compounds for the treatment of bacterial infections | 20140324 |
PMID | Publication Date | Title | Journal |
22137933 | 20120315 | Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family | Bioorganic & medicinal chemistry |
20148564 | 20100311 | Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template | Journal of medicinal chemistry |
Complexity: | 45.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 83.048347172 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 83.048347172 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
-
Catalog: BB013950
2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid
Detail
-
Catalog: BB010533
3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole
Detail
-
Catalog: BB013491
3,5-Dibromo-1-(methoxymethyl)-1H-1,2,4-triazole
Detail
-
Catalog: BB016679
5-(5-Bromo-2-thienyl)-1H-tetrazole solution
Detail
-
Catalog: BB005032
1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethanamine
Detail
-
Catalog: BB008309
Ethyl 1H-tetrazole-5-acetate
Detail
-
Catalog: BB016680
5-(5-Bromo-3-pyridyl)-1H-tetrazole
Detail
-
Catalog: BB004919
Tetrazolo[1,5-a]pyridine-7-carboxylic acid
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Triazole/Tetrazole
-
[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
-
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
-
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
-
[91616-41-0]
ethyl 1-methyl-1H-1,2,3,4-tetrazole-5-carboxylate
-
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
-
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS