2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid

C15H18N4O3 — CID 119171359

IUPAC2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
SMILESCc1nc(C(=O)NCC(=O)O)nn1-c1ccccc1C(C)C
InChIInChI=1S/C15H18N4O3/c1-9(2)11-6-4-5-7-12(11)19-10(3)17-14(18-19)15(22)16-8-13(20)21/h4-7,9H,8H2,1-3H3,(H,16,22)(H,20,21)
InChIKeyQQUAKNARZXQEGH-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.51
Rot. Bonds5

About 2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid

2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid (PubChem CID 119171359) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
PubChem CID119171359
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
SMILESCc1nc(C(=O)NCC(=O)O)nn1-c1ccccc1C(C)C
InChIInChI=1S/C15H18N4O3/c1-9(2)11-6-4-5-7-12(11)19-10(3)17-14(18-19)15(22)16-8-13(20)21/h4-7,9H,8H2,1-3H3,(H,16,22)(H,20,21)
InChIKeyQQUAKNARZXQEGH-UHFFFAOYSA-N
XLogP1.51
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]pentanoic acid
CID 119234576
2-[methyl-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 119172044
2-[4-[[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698090
2-[cyclopropyl-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 119194888
N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 119582229
N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 138998144
N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 94821507
5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 155947831
2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548589
[2-(methylaminomethyl)pyrrolidin-1-yl]-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanone
CID 119649445
5-methyl-1-(2-propan-2-ylphenyl)-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 100683192
N-(3-amino-4-methoxyphenyl)-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119419307

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid (CID 119171359) is 2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid is Cc1nc(C(=O)NCC(=O)O)nn1-c1ccccc1C(C)C.
What is the InChIKey of 2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid?
The InChIKey is QQUAKNARZXQEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9(2)11-6-4-5-7-12(11)19-10(3)17-14(18-19)15(22)16-8-13(20)21/h4-7,9H,8H2,1-3H3,(H,16,22)(H,20,21).
What are the key properties of 2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid?
2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119171359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).