N-ethyl-N,2-diphenyltriazole-4-carboxamide

C17H16N4O — CID 18190782

IUPACN-ethyl-N,2-diphenyltriazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C17H16N4O/c1-2-20(14-9-5-3-6-10-14)17(22)16-13-18-21(19-16)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyCCQXIHFLERWKPG-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.93
Rot. Bonds4

About N-ethyl-N,2-diphenyltriazole-4-carboxamide

N-ethyl-N,2-diphenyltriazole-4-carboxamide (PubChem CID 18190782) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-ethyl-N,2-diphenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,2-diphenyltriazole-4-carboxamide
PubChem CID18190782
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-ethyl-N,2-diphenyltriazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C17H16N4O/c1-2-20(14-9-5-3-6-10-14)17(22)16-13-18-21(19-16)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyCCQXIHFLERWKPG-UHFFFAOYSA-N
XLogP2.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-diphenyltriazole-4-carboxamide?
The IUPAC name of N-ethyl-N,2-diphenyltriazole-4-carboxamide (CID 18190782) is N-ethyl-N,2-diphenyltriazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N,2-diphenyltriazole-4-carboxamide?
The canonical SMILES for N-ethyl-N,2-diphenyltriazole-4-carboxamide is CCN(C(=O)c1cnn(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-ethyl-N,2-diphenyltriazole-4-carboxamide?
The InChIKey is CCQXIHFLERWKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-2-20(14-9-5-3-6-10-14)17(22)16-13-18-21(19-16)15-11-7-4-8-12-15/h3-13H,2H2,1H3.
What are the key properties of N-ethyl-N,2-diphenyltriazole-4-carboxamide?
N-ethyl-N,2-diphenyltriazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-diphenyltriazole-4-carboxamide is sourced from PubChem (CID 18190782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).