5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide

C13H17N5O — CID 27261922

IUPAC5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)NC(C)C)c1N
InChIInChI=1S/C13H17N5O/c1-8(2)15-13(19)11-12(14)18(17-16-11)10-7-5-4-6-9(10)3/h4-8H,14H2,1-3H3,(H,15,19)
InChIKeyDHVBKEUACVPFTR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.30
Rot. Bonds3

About 5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide

5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide (PubChem CID 27261922) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
PubChem CID27261922
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)NC(C)C)c1N
InChIInChI=1S/C13H17N5O/c1-8(2)15-13(19)11-12(14)18(17-16-11)10-7-5-4-6-9(10)3/h4-8H,14H2,1-3H3,(H,15,19)
InChIKeyDHVBKEUACVPFTR-UHFFFAOYSA-N
XLogP1.30
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(2-methylphenyl)triazole-4-carboxylic acid
CID 82285356
5-amino-N-benzyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 17015755
5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide
CID 140862073
5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442535
N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide
CID 17015846
5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide
CID 42818413
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123678
5-amino-1-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 40899499
5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 27262034
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956
1-(2-methylphenyl)-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 82201368
5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 11689324

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide (CID 27261922) is 5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide is Cc1ccccc1-n1nnc(C(=O)NC(C)C)c1N.
What is the InChIKey of 5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is DHVBKEUACVPFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8(2)15-13(19)11-12(14)18(17-16-11)10-7-5-4-6-9(10)3/h4-8H,14H2,1-3H3,(H,15,19).
What are the key properties of 5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide?
5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 27261922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).