1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid

C19H24N4O3 — CID 120539004

IUPAC1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
SMILESCc1cccc(-n2nnc(C(=O)NC3(C(=O)O)CCCCCC3)c2C)c1
InChIInChI=1S/C19H24N4O3/c1-13-8-7-9-15(12-13)23-14(2)16(21-22-23)17(24)20-19(18(25)26)10-5-3-4-6-11-19/h7-9,12H,3-6,10-11H2,1-2H3,(H,20,24)(H,25,26)
InChIKeyFRTUBDKAZBZTAV-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.79
Rot. Bonds4

About 1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid

1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 120539004) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
PubChem CID120539004
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
SMILESCc1cccc(-n2nnc(C(=O)NC3(C(=O)O)CCCCCC3)c2C)c1
InChIInChI=1S/C19H24N4O3/c1-13-8-7-9-15(12-13)23-14(2)16(21-22-23)17(24)20-19(18(25)26)10-5-3-4-6-11-19/h7-9,12H,3-6,10-11H2,1-2H3,(H,20,24)(H,25,26)
InChIKeyFRTUBDKAZBZTAV-UHFFFAOYSA-N
XLogP2.79
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic 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

1-[[5-methyl-1-(3-nitrophenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120539086
2-methyl-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120546087
N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 166286786
5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide
CID 55881868
1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530849
(2R)-3-methyl-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119368322
1-[[(5-methyl-1-phenyltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544247
3-methyl-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256946
5-methyl-1-(3-methylphenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)triazole-4-carboxamide
CID 55886109
5-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 55854731
5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide
CID 95784960
(E)-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]hex-4-enoic acid
CID 120693785

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid (CID 120539004) is 1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid is Cc1cccc(-n2nnc(C(=O)NC3(C(=O)O)CCCCCC3)c2C)c1.
What is the InChIKey of 1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is FRTUBDKAZBZTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-8-7-9-15(12-13)23-14(2)16(21-22-23)17(24)20-19(18(25)26)10-5-3-4-6-11-19/h7-9,12H,3-6,10-11H2,1-2H3,(H,20,24)(H,25,26).
What are the key properties of 1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid?
1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120539004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).