5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide

C10H9ClN4O2 — CID 169402198

IUPAC5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C10H9ClN4O2/c1-17-7-3-2-5(11)4-6(7)8-9(10(12)16)14-15-13-8/h2-4H,1H3,(H2,12,16)(H,13,14,15)
InChIKeyACKUFDPHXVJSKU-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.23
Rot. Bonds3

About 5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide

5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402198) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169402198
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C10H9ClN4O2/c1-17-7-3-2-5(11)4-6(7)8-9(10(12)16)14-15-13-8/h2-4H,1H3,(H2,12,16)(H,13,14,15)
InChIKeyACKUFDPHXVJSKU-UHFFFAOYSA-N
XLogP1.23
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403348
5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403345
5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402986
5-(2-bromo-6-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402418
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404852
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-(5-methoxy-2-prop-2-ynoxyphenyl)-2H-triazole-4-carboxamide
CID 169403412
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403698

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide (CID 169402198) is 5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide is COc1ccc(Cl)cc1-c1n[nH]nc1C(N)=O.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is ACKUFDPHXVJSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-17-7-3-2-5(11)4-6(7)8-9(10(12)16)14-15-13-8/h2-4H,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide?
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 252.66 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).