5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide

C17H16ClN5O2 — CID 17015703

IUPAC5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)c2nnn(-c3cccc(C)c3)c2N)c1
InChIInChI=1S/C17H16ClN5O2/c1-10-4-3-5-11(8-10)23-16(19)15(21-22-23)17(24)20-14-9-12(25-2)6-7-13(14)18/h3-9H,19H2,1-2H3,(H,20,24)
InChIKeyKLPAXKLNHDTTGM-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.07
Rot. Bonds4

About 5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide

5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 17015703) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID17015703
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)c2nnn(-c3cccc(C)c3)c2N)c1
InChIInChI=1S/C17H16ClN5O2/c1-10-4-3-5-11(8-10)23-16(19)15(21-22-23)17(24)20-14-9-12(25-2)6-7-13(14)18/h3-9H,19H2,1-2H3,(H,20,24)
InChIKeyKLPAXKLNHDTTGM-UHFFFAOYSA-N
XLogP3.07
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651720
5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
CID 27261436
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790
5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 17015741
5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 27262034
5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748
5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 17015721
5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 4546892
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015807
5-amino-N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17014925
5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 17015713

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide (CID 17015703) is 5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide is COc1ccc(Cl)c(NC(=O)c2nnn(-c3cccc(C)c3)c2N)c1.
What is the InChIKey of 5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is KLPAXKLNHDTTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-10-4-3-5-11(8-10)23-16(19)15(21-22-23)17(24)20-14-9-12(25-2)6-7-13(14)18/h3-9H,19H2,1-2H3,(H,20,24).
What are the key properties of 5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 17015703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).