N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide

C16H14N4O — CID 118705753

IUPACN-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)c1ncn[nH]1
InChIInChI=1S/C16H14N4O/c21-16(15-18-11-19-20-15)17-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,17,21)(H,18,19,20)
InChIKeyLWFLKINLHZTTRN-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.40
Rot. Bonds4

About N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide

N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 118705753) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID118705753
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)c1ncn[nH]1
InChIInChI=1S/C16H14N4O/c21-16(15-18-11-19-20-15)17-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,17,21)(H,18,19,20)
InChIKeyLWFLKINLHZTTRN-UHFFFAOYSA-N
XLogP2.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 118705753) is N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide is O=C(NCc1ccc(-c2ccccc2)cc1)c1ncn[nH]1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is LWFLKINLHZTTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(15-18-11-19-20-15)17-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,17,21)(H,18,19,20).
What are the key properties of N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 118705753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).