3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile

C10H13N5 — CID 62672330

IUPAC3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile
SMILESCC1CN(c2nccnc2C#N)CCN1
InChIInChI=1S/C10H13N5/c1-8-7-15(5-4-12-8)10-9(6-11)13-2-3-14-10/h2-3,8,12H,4-5,7H2,1H3
InChIKeyYCSUVCBLDUSNPU-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.15
Rot. Bonds1

About 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile

3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile (PubChem CID 62672330) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile
PubChem CID62672330
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile
SMILESCC1CN(c2nccnc2C#N)CCN1
InChIInChI=1S/C10H13N5/c1-8-7-15(5-4-12-8)10-9(6-11)13-2-3-14-10/h2-3,8,12H,4-5,7H2,1H3
InChIKeyYCSUVCBLDUSNPU-UHFFFAOYSA-N
XLogP0.15
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile 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 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile (CID 62672330) is 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile is CC1CN(c2nccnc2C#N)CCN1.
What is the InChIKey of 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is YCSUVCBLDUSNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-8-7-15(5-4-12-8)10-9(6-11)13-2-3-14-10/h2-3,8,12H,4-5,7H2,1H3.
What are the key properties of 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile?
3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 62672330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).