1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide

C17H15ClN4O2 — CID 24825102

IUPAC1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2ncn(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H15ClN4O2/c1-21(13-7-9-15(24-2)10-8-13)17(23)16-19-11-22(20-16)14-5-3-12(18)4-6-14/h3-11H,1-2H3
InChIKeyDPBBERQTIJKJHR-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.21
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 24825102) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide
PubChem CID24825102
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2ncn(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H15ClN4O2/c1-21(13-7-9-15(24-2)10-8-13)17(23)16-19-11-22(20-16)14-5-3-12(18)4-6-14/h3-11H,1-2H3
InChIKeyDPBBERQTIJKJHR-UHFFFAOYSA-N
XLogP3.21
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide (CID 24825102) is 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide is COc1ccc(N(C)C(=O)c2ncn(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is DPBBERQTIJKJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-21(13-7-9-15(24-2)10-8-13)17(23)16-19-11-22(20-16)14-5-3-12(18)4-6-14/h3-11H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 24825102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).