5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide

C17H16ClN5O3 — CID 27261436

IUPAC5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nnn(-c3cccc(Cl)c3)c2N)c1
InChIInChI=1S/C17H16ClN5O3/c1-25-12-6-7-14(26-2)13(9-12)20-17(24)15-16(19)23(22-21-15)11-5-3-4-10(18)8-11/h3-9H,19H2,1-2H3,(H,20,24)
InChIKeyWYJXHIMECDIRJO-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.77
Rot. Bonds5

About 5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide

5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide (PubChem CID 27261436) has the molecular formula C17H16ClN5O3 and a molecular weight of 373.80 g/mol. Its IUPAC name is 5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
PubChem CID27261436
Molecular FormulaC17H16ClN5O3
Molecular Weight373.80 g/mol
Exact Mass373.09
IUPAC Name5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nnn(-c3cccc(Cl)c3)c2N)c1
InChIInChI=1S/C17H16ClN5O3/c1-25-12-6-7-14(26-2)13(9-12)20-17(24)15-16(19)23(22-21-15)11-5-3-4-10(18)8-11/h3-9H,19H2,1-2H3,(H,20,24)
InChIKeyWYJXHIMECDIRJO-UHFFFAOYSA-N
XLogP2.77
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 17015741
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790
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-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734
5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 17015703
5-amino-N-(2,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262300
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
5-amino-N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17014925
5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015807
5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015784
5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
CID 16800036

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide (CID 27261436) is 5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2nnn(-c3cccc(Cl)c3)c2N)c1.
What is the InChIKey of 5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide?
The InChIKey is WYJXHIMECDIRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3/c1-25-12-6-7-14(26-2)13(9-12)20-17(24)15-16(19)23(22-21-15)11-5-3-4-10(18)8-11/h3-9H,19H2,1-2H3,(H,20,24).
What are the key properties of 5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide?
5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide has a molecular weight of 373.80 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 27261436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).