3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile

C12H19N5 — CID 80812725

IUPAC3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile
SMILESCNc1cncc(N(CCC#N)CC(C)C)n1
InChIInChI=1S/C12H19N5/c1-10(2)9-17(6-4-5-13)12-8-15-7-11(14-3)16-12/h7-8,10H,4,6,9H2,1-3H3,(H,14,16)
InChIKeyVONSWYQEXQASNT-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.89
Rot. Bonds6

About 3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile

3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile (PubChem CID 80812725) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile
PubChem CID80812725
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile
SMILESCNc1cncc(N(CCC#N)CC(C)C)n1
InChIInChI=1S/C12H19N5/c1-10(2)9-17(6-4-5-13)12-8-15-7-11(14-3)16-12/h7-8,10H,4,6,9H2,1-3H3,(H,14,16)
InChIKeyVONSWYQEXQASNT-UHFFFAOYSA-N
XLogP1.89
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile (CID 80812725) is 3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile is CNc1cncc(N(CCC#N)CC(C)C)n1.
What is the InChIKey of 3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile?
The InChIKey is VONSWYQEXQASNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-10(2)9-17(6-4-5-13)12-8-15-7-11(14-3)16-12/h7-8,10H,4,6,9H2,1-3H3,(H,14,16).
What are the key properties of 3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile?
3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile has a molecular weight of 233.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 80812725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).