N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide

C12H16N6O — CID 107375878

IUPACN-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCc2ncc[nH]2)cn1
InChIInChI=1S/C12H16N6O/c1-2-3-13-11-7-16-9(6-17-11)12(19)18-8-10-14-4-5-15-10/h4-7H,2-3,8H2,1H3,(H,13,17)(H,14,15)(H,18,19)
InChIKeySENRUKTVGCVCDH-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.95
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107375878) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107375878
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCc2ncc[nH]2)cn1
InChIInChI=1S/C12H16N6O/c1-2-3-13-11-7-16-9(6-17-11)12(19)18-8-10-14-4-5-15-10/h4-7H,2-3,8H2,1H3,(H,13,17)(H,14,15)(H,18,19)
InChIKeySENRUKTVGCVCDH-UHFFFAOYSA-N
XLogP0.95
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-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-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374799
5-hydrazinyl-N-[2-(1H-imidazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 107378673
5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide
CID 107374837
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107375019
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376112
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665
N-(2-ethoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377139
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109272569

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide (CID 107375878) is N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCc2ncc[nH]2)cn1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is SENRUKTVGCVCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-2-3-13-11-7-16-9(6-17-11)12(19)18-8-10-14-4-5-15-10/h4-7H,2-3,8H2,1H3,(H,13,17)(H,14,15)(H,18,19).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107375878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).