N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide

C15H16N6O — CID 162626866

IUPACN-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide
SMILESCc1nc(NC(=O)c2cnc3ccccc3n2)nn1C(C)C
InChIInChI=1S/C15H16N6O/c1-9(2)21-10(3)17-15(20-21)19-14(22)13-8-16-11-6-4-5-7-12(11)18-13/h4-9H,1-3H3,(H,19,20,22)
InChIKeyLBMIVFNFDPRBAL-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.36
Rot. Bonds3

About N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide

N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide (PubChem CID 162626866) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide
PubChem CID162626866
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide
SMILESCc1nc(NC(=O)c2cnc3ccccc3n2)nn1C(C)C
InChIInChI=1S/C15H16N6O/c1-9(2)21-10(3)17-15(20-21)19-14(22)13-8-16-11-6-4-5-7-12(11)18-13/h4-9H,1-3H3,(H,19,20,22)
InChIKeyLBMIVFNFDPRBAL-UHFFFAOYSA-N
XLogP2.36
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-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

N-(1-methyl-3-propan-2-ylpyrazol-5-yl)quinoxaline-2-carboxamide
CID 162634783
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide
CID 46107928
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 155916269
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-2-carboxamide
CID 26469458
N-(2-bromophenyl)quinoxaline-2-carboxamide
CID 17429565
N-[2-(dimethylamino)pyrimidin-5-yl]quinoxaline-2-carboxamide
CID 122297962
N-(2-methylpropoxy)quinoxaline-2-carboxamide
CID 113304479
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
N-[1-(5-methylfuran-2-yl)ethyl]quinoxaline-2-carboxamide
CID 46443465

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide (CID 162626866) is N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide is Cc1nc(NC(=O)c2cnc3ccccc3n2)nn1C(C)C.
What is the InChIKey of N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide?
The InChIKey is LBMIVFNFDPRBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-9(2)21-10(3)17-15(20-21)19-14(22)13-8-16-11-6-4-5-7-12(11)18-13/h4-9H,1-3H3,(H,19,20,22).
What are the key properties of N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide?
N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 162626866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).