4-methylpiperazine-2-carbonitrile

C6H11N3 — CID 21300030

IUPAC4-methylpiperazine-2-carbonitrile
SMILESCN1CCNC(C#N)C1
InChIInChI=1S/C6H11N3/c1-9-3-2-8-6(4-7)5-9/h6,8H,2-3,5H2,1H3
InChIKeyCWQHAFKSCIBIDU-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.59
Rot. Bonds

About 4-methylpiperazine-2-carbonitrile

4-methylpiperazine-2-carbonitrile (PubChem CID 21300030) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-methylpiperazine-2-carbonitrile.

Molecular Properties

Compound Name4-methylpiperazine-2-carbonitrile
PubChem CID21300030
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4-methylpiperazine-2-carbonitrile
SMILESCN1CCNC(C#N)C1
InChIInChI=1S/C6H11N3/c1-9-3-2-8-6(4-7)5-9/h6,8H,2-3,5H2,1H3
InChIKeyCWQHAFKSCIBIDU-UHFFFAOYSA-N
XLogP-0.59
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methylpiperazine-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 4-methylpiperazine-2-carbonitrile?
The IUPAC name of 4-methylpiperazine-2-carbonitrile (CID 21300030) is 4-methylpiperazine-2-carbonitrile.
What is the SMILES notation for 4-methylpiperazine-2-carbonitrile?
The canonical SMILES for 4-methylpiperazine-2-carbonitrile is CN1CCNC(C#N)C1.
What is the InChIKey of 4-methylpiperazine-2-carbonitrile?
The InChIKey is CWQHAFKSCIBIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-9-3-2-8-6(4-7)5-9/h6,8H,2-3,5H2,1H3.
What are the key properties of 4-methylpiperazine-2-carbonitrile?
4-methylpiperazine-2-carbonitrile has a molecular weight of 125.17 g/mol, XLogP of -0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazine-2-carbonitrile is sourced from PubChem (CID 21300030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).