5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide

C18H19N5O — CID 27262034

IUPAC5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2N)c1
InChIInChI=1S/C18H19N5O/c1-11-6-4-8-14(10-11)23-17(19)16(21-22-23)18(24)20-15-9-5-7-12(2)13(15)3/h4-10H,19H2,1-3H3,(H,20,24)
InChIKeyUHBDFPATKLFRLV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.03
Rot. Bonds3

About 5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide

5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 27262034) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID27262034
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2N)c1
InChIInChI=1S/C18H19N5O/c1-11-6-4-8-14(10-11)23-17(19)16(21-22-23)18(24)20-15-9-5-7-12(2)13(15)3/h4-10H,19H2,1-3H3,(H,20,24)
InChIKeyUHBDFPATKLFRLV-UHFFFAOYSA-N
XLogP3.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 4546892
5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 17015713
5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 17015703
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 4102161
5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)triazole-4-carboxamide
CID 20923677
1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 7184539
5-(methoxymethyl)-N-(2-methylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651695
5-amino-N-(2,3-dimethylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853818
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide (CID 27262034) is 5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2N)c1.
What is the InChIKey of 5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is UHBDFPATKLFRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-6-4-8-14(10-11)23-17(19)16(21-22-23)18(24)20-15-9-5-7-12(2)13(15)3/h4-10H,19H2,1-3H3,(H,20,24).
What are the key properties of 5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 27262034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).