N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C14H17N7O — CID 118767768

IUPACN-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(NC(=O)c1cccn2cnnc12)c1nncn1C(C)C
InChIInChI=1S/C14H17N7O/c1-9(2)21-8-16-18-12(21)10(3)17-14(22)11-5-4-6-20-7-15-19-13(11)20/h4-10H,1-3H3,(H,17,22)
InChIKeyQHLUNDGUOUBJGL-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.39
Rot. Bonds4

About N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 118767768) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID118767768
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(NC(=O)c1cccn2cnnc12)c1nncn1C(C)C
InChIInChI=1S/C14H17N7O/c1-9(2)21-8-16-18-12(21)10(3)17-14(22)11-5-4-6-20-7-15-19-13(11)20/h4-10H,1-3H3,(H,17,22)
InChIKeyQHLUNDGUOUBJGL-UHFFFAOYSA-N
XLogP1.39
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-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-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 154871578
2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide
CID 72883314
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyrimidin-5-ylbenzamide
CID 119066722
2-(2-oxo-1-pyridinyl)-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 126450812
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 54878197
6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 125164685
3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 131921930
2,3-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62659999
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443313
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443312
4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 172668009

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 118767768) is N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CC(NC(=O)c1cccn2cnnc12)c1nncn1C(C)C.
What is the InChIKey of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is QHLUNDGUOUBJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-9(2)21-8-16-18-12(21)10(3)17-14(22)11-5-4-6-20-7-15-19-13(11)20/h4-10H,1-3H3,(H,17,22).
What are the key properties of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 299.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 118767768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).