3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide

C13H11N5O — CID 69177404

IUPAC3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide
SMILESCc1c(C(N)=O)nc2ccccc2c1-n1ccnn1
InChIInChI=1S/C13H11N5O/c1-8-11(13(14)19)16-10-5-3-2-4-9(10)12(8)18-7-6-15-17-18/h2-7H,1H3,(H2,14,19)
InChIKeyBCHQNFREACSOJX-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.22
Rot. Bonds2

About 3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide

3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide (PubChem CID 69177404) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide
PubChem CID69177404
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide
SMILESCc1c(C(N)=O)nc2ccccc2c1-n1ccnn1
InChIInChI=1S/C13H11N5O/c1-8-11(13(14)19)16-10-5-3-2-4-9(10)12(8)18-7-6-15-17-18/h2-7H,1H3,(H2,14,19)
InChIKeyBCHQNFREACSOJX-UHFFFAOYSA-N
XLogP1.22
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide 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

2-imidazol-1-ylquinazoline-4-carboxamide
CID 172628387
3-methyl-5-(triazol-1-yl)pyrazine-2-carboxylic acid
CID 174867391
copper;1-(2-methylphenyl)triazole
CID 141369525
1-(3-hydroxy-4-methylquinolin-2-yl)ethanone
CID 134989412
3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide
CID 118171708
3-methoxy-2-(triazol-1-yl)benzoic acid
CID 67086877
1-butylimidazo[4,5-c]quinoline-4-carboxamide
CID 25006952
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160
3-amino-4-nitroquinoline-2-carboxamide
CID 19034639
1,2,3-benzotriazine-4-carboxamide
CID 90188678
3,4-dimethylpyridine-2-carboxamide;hydrochloride
CID 118095739
1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole
CID 175284463

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide?
The IUPAC name of 3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide (CID 69177404) is 3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide.
What is the SMILES notation for 3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide?
The canonical SMILES for 3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide is Cc1c(C(N)=O)nc2ccccc2c1-n1ccnn1.
What is the InChIKey of 3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide?
The InChIKey is BCHQNFREACSOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-8-11(13(14)19)16-10-5-3-2-4-9(10)12(8)18-7-6-15-17-18/h2-7H,1H3,(H2,14,19).
What are the key properties of 3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide?
3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide is sourced from PubChem (CID 69177404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).