5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide

C16H14N4O2 — CID 169402846

IUPAC5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
SMILESCOc1cccc(-c2ccc(-c3n[nH]nc3C(N)=O)cc2)c1
InChIInChI=1S/C16H14N4O2/c1-22-13-4-2-3-12(9-13)10-5-7-11(8-6-10)14-15(16(17)21)19-20-18-14/h2-9H,1H3,(H2,17,21)(H,18,19,20)
InChIKeyLBIGCBWRMZBJFG-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.25
Rot. Bonds4

About 5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide

5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402846) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169402846
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
SMILESCOc1cccc(-c2ccc(-c3n[nH]nc3C(N)=O)cc2)c1
InChIInChI=1S/C16H14N4O2/c1-22-13-4-2-3-12(9-13)10-5-7-11(8-6-10)14-15(16(17)21)19-20-18-14/h2-9H,1H3,(H2,17,21)(H,18,19,20)
InChIKeyLBIGCBWRMZBJFG-UHFFFAOYSA-N
XLogP2.25
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
5-(3-methoxy-5-nitrophenyl)-2H-triazole-4-carboxamide
CID 169403259
(2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone
CID 155934139
5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403109
5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402542
5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide
CID 169402380
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide
CID 169402424
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402978
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide (CID 169402846) is 5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide is COc1cccc(-c2ccc(-c3n[nH]nc3C(N)=O)cc2)c1.
What is the InChIKey of 5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is LBIGCBWRMZBJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-13-4-2-3-12(9-13)10-5-7-11(8-6-10)14-15(16(17)21)19-20-18-14/h2-9H,1H3,(H2,17,21)(H,18,19,20).
What are the key properties of 5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide?
5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).