5-Amino-1-benzyl-1,2,3-triazole-4-carboxamide - CAS 4342-08-9
Catalog: |
BB025406 |
Product Name: |
5-Amino-1-benzyl-1,2,3-triazole-4-carboxamide |
CAS: |
4342-08-9 |
Synonyms: |
5-amino-1-(phenylmethyl)-4-triazolecarboxamide; 5-amino-1-benzyltriazole-4-carboxamide |
IUPAC Name: | 5-amino-1-benzyltriazole-4-carboxamide |
Description: | 5-Amino-1-benzyl-1,2,3-triazole-4-carboxamide (CAS# 4342-08-9) is a useful research chemical compound. |
Molecular Weight: | 217.23 |
Molecular Formula: | C10H11N5O |
Canonical SMILES: | C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)N)N |
InChI: | InChI=1S/C10H11N5O/c11-9-8(10(12)16)13-14-15(9)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H2,12,16) |
InChI Key: | SPSJTSUTONSWEX-UHFFFAOYSA-N |
Boiling Point: | 492 °C at 760 mmHg |
Density: | 1.47 g/cm3 |
MDL: | MFCD00514988 |
LogP: | 1.28900 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110225911-A | Oxadiazoles ketone transient receptor potential channel inhibitor | 20161128 |
EP-3544979-A1 | Oxadiazolones as transient receptor potential channel inhibitors | 20161128 |
JP-2019535761-A | Oxadiazolones as transient receptor potential channel inhibitors | 20161128 |
TW-201831477-A | Oxadiazolone transient receptor potential channel inhibitor | 20161128 |
US-2019284189-A1 | Oxadiazolones as transient receptor potential channel inhibitors | 20161128 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.09635999 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.09635999 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 99.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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