N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide

C12H13N5O — CID 63928514

IUPACN-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1ncn[nH]1
InChIInChI=1S/C12H13N5O/c18-12(11-14-7-15-17-11)16-9-4-3-8-2-1-5-13-10(8)6-9/h3-4,6-7,13H,1-2,5H2,(H,16,18)(H,14,15,17)
InChIKeyHEVVSWRLZRCOAZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.42
Rot. Bonds2

About N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide

N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 63928514) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID63928514
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1ncn[nH]1
InChIInChI=1S/C12H13N5O/c18-12(11-14-7-15-17-11)16-9-4-3-8-2-1-5-13-10(8)6-9/h3-4,6-7,13H,1-2,5H2,(H,16,18)(H,14,15,17)
InChIKeyHEVVSWRLZRCOAZ-UHFFFAOYSA-N
XLogP1.42
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-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

N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
CID 102922274
5-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxamide
CID 104639273
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
CID 66482233
N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779758
3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63928507
N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929977
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
5-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-carboxamide
CID 63929153
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929568
1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 63928941
1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
CID 63928927

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide (CID 63928514) is N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccc2c(c1)NCCC2)c1ncn[nH]1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HEVVSWRLZRCOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c18-12(11-14-7-15-17-11)16-9-4-3-8-2-1-5-13-10(8)6-9/h3-4,6-7,13H,1-2,5H2,(H,16,18)(H,14,15,17).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 63928514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).