5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide

C10H13N5O — CID 10242543

IUPAC5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCC(C)CNc1nc(C#N)cnc1C(N)=O
InChIInChI=1S/C10H13N5O/c1-6(2)4-14-10-8(9(12)16)13-5-7(3-11)15-10/h5-6H,4H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyGQSJXVRPIRAOPL-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.52
Rot. Bonds4

About 5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide

5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide (PubChem CID 10242543) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide
PubChem CID10242543
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCC(C)CNc1nc(C#N)cnc1C(N)=O
InChIInChI=1S/C10H13N5O/c1-6(2)4-14-10-8(9(12)16)13-5-7(3-11)15-10/h5-6H,4H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyGQSJXVRPIRAOPL-UHFFFAOYSA-N
XLogP0.52
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-cyano-3-(2-methylpropylamino)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 5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of 5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide (CID 10242543) is 5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for 5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide is CC(C)CNc1nc(C#N)cnc1C(N)=O.
What is the InChIKey of 5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide?
The InChIKey is GQSJXVRPIRAOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-6(2)4-14-10-8(9(12)16)13-5-7(3-11)15-10/h5-6H,4H2,1-2H3,(H2,12,16)(H,14,15).
What are the key properties of 5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide?
5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 10242543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).