6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide

C10H12ClN3O — CID 103187308

IUPAC6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide
SMILESCC1(NC(=O)c2cncc(Cl)n2)CCC1
InChIInChI=1S/C10H12ClN3O/c1-10(3-2-4-10)14-9(15)7-5-12-6-8(11)13-7/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeyUIUPVWSZPIMGLL-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.80
Rot. Bonds2

About 6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide

6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide (PubChem CID 103187308) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide
PubChem CID103187308
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide
SMILESCC1(NC(=O)c2cncc(Cl)n2)CCC1
InChIInChI=1S/C10H12ClN3O/c1-10(3-2-4-10)14-9(15)7-5-12-6-8(11)13-7/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeyUIUPVWSZPIMGLL-UHFFFAOYSA-N
XLogP1.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(1-methylcyclobutyl)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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide (CID 103187308) is 6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide is CC1(NC(=O)c2cncc(Cl)n2)CCC1.
What is the InChIKey of 6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide?
The InChIKey is UIUPVWSZPIMGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-10(3-2-4-10)14-9(15)7-5-12-6-8(11)13-7/h5-6H,2-4H2,1H3,(H,14,15).
What are the key properties of 6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide?
6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide has a molecular weight of 225.68 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103187308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).