N-butyl-N,2-diphenyltriazole-4-carboxamide

C19H20N4O — CID 8894037

IUPACN-butyl-N,2-diphenyltriazole-4-carboxamide
SMILESCCCCN(C(=O)c1cnn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-2-3-14-22(16-10-6-4-7-11-16)19(24)18-15-20-23(21-18)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3
InChIKeyQXIDJJHKQPLPPU-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.71
Rot. Bonds6

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

N-butyl-N,2-diphenyltriazole-4-carboxamide (PubChem CID 8894037) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-butyl-N,2-diphenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N,2-diphenyltriazole-4-carboxamide
PubChem CID8894037
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-butyl-N,2-diphenyltriazole-4-carboxamide
SMILESCCCCN(C(=O)c1cnn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-2-3-14-22(16-10-6-4-7-11-16)19(24)18-15-20-23(21-18)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3
InChIKeyQXIDJJHKQPLPPU-UHFFFAOYSA-N
XLogP3.71
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-diphenyltriazole-4-carboxamide?
The IUPAC name of N-butyl-N,2-diphenyltriazole-4-carboxamide (CID 8894037) is N-butyl-N,2-diphenyltriazole-4-carboxamide.
What is the SMILES notation for N-butyl-N,2-diphenyltriazole-4-carboxamide?
The canonical SMILES for N-butyl-N,2-diphenyltriazole-4-carboxamide is CCCCN(C(=O)c1cnn(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-butyl-N,2-diphenyltriazole-4-carboxamide?
The InChIKey is QXIDJJHKQPLPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-3-14-22(16-10-6-4-7-11-16)19(24)18-15-20-23(21-18)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3.
What are the key properties of N-butyl-N,2-diphenyltriazole-4-carboxamide?
N-butyl-N,2-diphenyltriazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-diphenyltriazole-4-carboxamide is sourced from PubChem (CID 8894037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).