3-[methyl(propyl)amino]pyrazine-2-carbonitrile

C9H12N4 — CID 62685552

IUPAC3-[methyl(propyl)amino]pyrazine-2-carbonitrile
SMILESCCCN(C)c1nccnc1C#N
InChIInChI=1S/C9H12N4/c1-3-6-13(2)9-8(7-10)11-4-5-12-9/h4-5H,3,6H2,1-2H3
InChIKeyVALHKXMXUPSJFG-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.19
Rot. Bonds3

About 3-[methyl(propyl)amino]pyrazine-2-carbonitrile

3-[methyl(propyl)amino]pyrazine-2-carbonitrile (PubChem CID 62685552) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-[methyl(propyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[methyl(propyl)amino]pyrazine-2-carbonitrile
PubChem CID62685552
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-[methyl(propyl)amino]pyrazine-2-carbonitrile
SMILESCCCN(C)c1nccnc1C#N
InChIInChI=1S/C9H12N4/c1-3-6-13(2)9-8(7-10)11-4-5-12-9/h4-5H,3,6H2,1-2H3
InChIKeyVALHKXMXUPSJFG-UHFFFAOYSA-N
XLogP1.19
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[methyl(propyl)amino]pyrazine-2-carbonitrile (CID 62685552) is 3-[methyl(propyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[methyl(propyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[methyl(propyl)amino]pyrazine-2-carbonitrile is CCCN(C)c1nccnc1C#N.
What is the InChIKey of 3-[methyl(propyl)amino]pyrazine-2-carbonitrile?
The InChIKey is VALHKXMXUPSJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-3-6-13(2)9-8(7-10)11-4-5-12-9/h4-5H,3,6H2,1-2H3.
What are the key properties of 3-[methyl(propyl)amino]pyrazine-2-carbonitrile?
3-[methyl(propyl)amino]pyrazine-2-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62685552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).