5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile

C15H14N8 — CID 133485263

IUPAC5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
SMILESC[C@@H]1CN(c2cnc(C#N)cn2)CCN1c1cnc(C#N)cn1
InChIInChI=1S/C15H14N8/c1-11-10-22(14-8-18-12(4-16)6-20-14)2-3-23(11)15-9-19-13(5-17)7-21-15/h6-9,11H,2-3,10H2,1H3/t11-/m1/s1
InChIKeyOMOFNVDFNFJEMH-LLVKDONJSA-N
MW306.33 g/mol
LogP0.73
Rot. Bonds2

About 5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile

5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133485263) has the molecular formula C15H14N8 and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133485263
Molecular FormulaC15H14N8
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
SMILESC[C@@H]1CN(c2cnc(C#N)cn2)CCN1c1cnc(C#N)cn1
InChIInChI=1S/C15H14N8/c1-11-10-22(14-8-18-12(4-16)6-20-14)2-3-23(11)15-9-19-13(5-17)7-21-15/h6-9,11H,2-3,10H2,1H3/t11-/m1/s1
InChIKeyOMOFNVDFNFJEMH-LLVKDONJSA-N
XLogP0.73
TPSA105.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(3R)-4-(5-cyanopyrazin-2-yl)-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 5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile (CID 133485263) is 5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile is C[C@@H]1CN(c2cnc(C#N)cn2)CCN1c1cnc(C#N)cn1.
What is the InChIKey of 5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is OMOFNVDFNFJEMH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14N8/c1-11-10-22(14-8-18-12(4-16)6-20-14)2-3-23(11)15-9-19-13(5-17)7-21-15/h6-9,11H,2-3,10H2,1H3/t11-/m1/s1.
What are the key properties of 5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile?
5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 306.33 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133485263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).