1-Benzyl-1H-1,2,4-triazol-5-amine - CAS 103262-22-2
Catalog: |
BB073458 |
Product Name: |
1-Benzyl-1H-1,2,4-triazol-5-amine |
CAS: |
103262-22-2 |
Synonyms: |
1-benzyl-1h-1,2,4-triazol-5-amine; 2-benzyl-1,2,4-triazol-3-amine |
IUPAC Name: | 2-benzyl-1,2,4-triazol-3-amine |
Molecular Weight: | 174.2 |
Molecular Formula: | C9H10N4 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C(=NC=N2)N |
InChI: | InChI=1S/C9H10N4/c10-9-11-7-12-13(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,10,11,12) |
InChI Key: | FEKTZCRTGOLRRL-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.090546336 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.090546336 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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