2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile

C9H12N4 — CID 62763078

IUPAC2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile
SMILESCC(C#N)CNCc1cnccn1
InChIInChI=1S/C9H12N4/c1-8(4-10)5-12-7-9-6-11-2-3-13-9/h2-3,6,8,12H,5,7H2,1H3
InChIKeyOUYHAVUZJRNURD-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.73
Rot. Bonds4

About 2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile

2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile (PubChem CID 62763078) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile
PubChem CID62763078
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile
SMILESCC(C#N)CNCc1cnccn1
InChIInChI=1S/C9H12N4/c1-8(4-10)5-12-7-9-6-11-2-3-13-9/h2-3,6,8,12H,5,7H2,1H3
InChIKeyOUYHAVUZJRNURD-UHFFFAOYSA-N
XLogP0.73
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile?
The IUPAC name of 2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile (CID 62763078) is 2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile is CC(C#N)CNCc1cnccn1.
What is the InChIKey of 2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile?
The InChIKey is OUYHAVUZJRNURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-8(4-10)5-12-7-9-6-11-2-3-13-9/h2-3,6,8,12H,5,7H2,1H3.
What are the key properties of 2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile?
2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile has a molecular weight of 176.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile is sourced from PubChem (CID 62763078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).