1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine - CAS 938459-10-0
Catalog: |
BB041109 |
Product Name: |
1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine |
CAS: |
938459-10-0 |
Synonyms: |
5-methyl-1-propan-2-yl-1,2,4-triazol-3-amine |
IUPAC Name: | 5-methyl-1-propan-2-yl-1,2,4-triazol-3-amine |
Description: | 1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine (CAS# 938459-10-0) is a useful research chemical. |
Molecular Weight: | 140.19 |
Molecular Formula: | C6H12N4 |
Canonical SMILES: | CC1=NC(=NN1C(C)C)N |
InChI: | InChI=1S/C6H12N4/c1-4(2)10-5(3)8-6(7)9-10/h4H,1-3H3,(H2,7,9) |
InChI Key: | UVRLGILFHWSWKE-UHFFFAOYSA-N |
Boiling Point: | 302.1 ℃ at 760 mmHg |
Density: | 1.22 g/cm3 |
MDL: | MFCD09055360 |
LogP: | 1.33080 |
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 |
EP-2999338-B1 | Known and novel heterocyclic compounds as pesticides | 20130523 |
JP-2016523840-A | Known heterocyclic compounds and novel heterocyclic compounds as pest control agents | 20130523 |
US-2016106102-A1 | Known and new heterocyclic compounds as pest control agents | 20130523 |
EP-2711368-A1 | Benzoxazepin PI3K inhibitor compounds and methods of use | 20090928 |
EP-2784078-A1 | Benzoxepin pi3k inhibitor compounds and methods of use | 20090928 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.106196400 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.106196400 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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