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

C17H15ClN4O3 — CID 169403348

IUPAC5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCOc1cccc(COc2ccc(Cl)cc2-c2n[nH]nc2C(N)=O)c1
InChIInChI=1S/C17H15ClN4O3/c1-24-12-4-2-3-10(7-12)9-25-14-6-5-11(18)8-13(14)15-16(17(19)23)21-22-20-15/h2-8H,9H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyDXJIHBZNLPNCLU-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.81
Rot. Bonds6

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

5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403348) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID169403348
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCOc1cccc(COc2ccc(Cl)cc2-c2n[nH]nc2C(N)=O)c1
InChIInChI=1S/C17H15ClN4O3/c1-24-12-4-2-3-10(7-12)9-25-14-6-5-11(18)8-13(14)15-16(17(19)23)21-22-20-15/h2-8H,9H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyDXJIHBZNLPNCLU-UHFFFAOYSA-N
XLogP2.81
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403345
5-(5-methoxy-2-prop-2-ynoxyphenyl)-2H-triazole-4-carboxamide
CID 169403412
5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403109
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
2-amino-4-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406359
5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403701
5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402462
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321
5-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403507
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide
CID 63093520

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide (CID 169403348) is 5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide is COc1cccc(COc2ccc(Cl)cc2-c2n[nH]nc2C(N)=O)c1.
What is the InChIKey of 5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is DXJIHBZNLPNCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-24-12-4-2-3-10(7-12)9-25-14-6-5-11(18)8-13(14)15-16(17(19)23)21-22-20-15/h2-8H,9H2,1H3,(H2,19,23)(H,20,21,22).
What are the key properties of 5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).