1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

C16H14N4O2 — CID 6500442

IUPAC1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N4O2/c1-22-13-9-7-12(8-10-13)20-16(11-5-3-2-4-6-11)18-15(19-20)14(17)21/h2-10H,1H3,(H2,17,21)
InChIKeyWDCORJDBIWLAOV-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.04
Rot. Bonds4

About 1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 6500442) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID6500442
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N4O2/c1-22-13-9-7-12(8-10-13)20-16(11-5-3-2-4-6-11)18-15(19-20)14(17)21/h2-10H,1H3,(H2,17,21)
InChIKeyWDCORJDBIWLAOV-UHFFFAOYSA-N
XLogP2.04
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (CID 6500442) is 1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is COc1ccc(-n2nc(C(N)=O)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is WDCORJDBIWLAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-13-9-7-12(8-10-13)20-16(11-5-3-2-4-6-11)18-15(19-20)14(17)21/h2-10H,1H3,(H2,17,21).
What are the key properties of 1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 6500442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).