5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile

C11H15N5 — CID 79867314

IUPAC5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCC1CN(c2cnc(C#N)cn2)CCC1N
InChIInChI=1S/C11H15N5/c1-8-7-16(3-2-10(8)13)11-6-14-9(4-12)5-15-11/h5-6,8,10H,2-3,7,13H2,1H3
InChIKeyNTUTYQVTDQQBEB-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.52
Rot. Bonds1

About 5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile

5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 79867314) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
PubChem CID79867314
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCC1CN(c2cnc(C#N)cn2)CCC1N
InChIInChI=1S/C11H15N5/c1-8-7-16(3-2-10(8)13)11-6-14-9(4-12)5-15-11/h5-6,8,10H,2-3,7,13H2,1H3
InChIKeyNTUTYQVTDQQBEB-UHFFFAOYSA-N
XLogP0.52
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-amino-3-methylpiperidin-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 5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile (CID 79867314) is 5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile is CC1CN(c2cnc(C#N)cn2)CCC1N.
What is the InChIKey of 5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is NTUTYQVTDQQBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-7-16(3-2-10(8)13)11-6-14-9(4-12)5-15-11/h5-6,8,10H,2-3,7,13H2,1H3.
What are the key properties of 5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 79867314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).