3-Cyclopropyl-1H-1,2,4-triazole - CAS 1211390-33-8
Catalog: |
BB005040 |
Product Name: |
3-Cyclopropyl-1H-1,2,4-triazole |
CAS: |
1211390-33-8 |
Synonyms: |
5-cyclopropyl-1H-1,2,4-triazole; 5-cyclopropyl-1H-1,2,4-triazole |
IUPAC Name: | 5-cyclopropyl-1H-1,2,4-triazole |
Description: | 3-Cyclopropyl-1H-1,2,4-triazole (CAS# 1211390-33-8) is a useful research chemical. |
Molecular Weight: | 109.13 |
Molecular Formula: | C5H7N3 |
Canonical SMILES: | C1CC1C2=NC=NN2 |
InChI: | InChI=1S/C5H7N3/c1-2-4(1)5-6-3-7-8-5/h3-4H,1-2H2,(H,6,7,8) |
InChI Key: | KTIRQJGWLMORDV-UHFFFAOYSA-N |
MDL: | MFCD13188610 |
LogP: | 0.68210 |
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 |
WO-2021151014-A1 | Pgdh inhibitors and methods of making and using | 20200123 |
CN-113056264-A | Farnesoin X receptor agonists and uses thereof | 20180918 |
CN-113056265-A | Farnesoin X receptor agonists and uses thereof | 20180918 |
JP-2020531528-A | Imidazolidine compound | 20170908 |
TW-201920144-A | Cyclobutyl-imidazolidinone compound | 20170907 |
Complexity: | 89.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 109.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 109.063997236 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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