3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile

C12H18N4O — CID 71913848

IUPAC3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile
SMILESCC(C)COc1cncc(N(C)CCC#N)n1
InChIInChI=1S/C12H18N4O/c1-10(2)9-17-12-8-14-7-11(15-12)16(3)6-4-5-13/h7-8,10H,4,6,9H2,1-3H3
InChIKeyBQRPLRGPNSMEDI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.86
Rot. Bonds6

About 3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile

3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile (PubChem CID 71913848) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile
PubChem CID71913848
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile
SMILESCC(C)COc1cncc(N(C)CCC#N)n1
InChIInChI=1S/C12H18N4O/c1-10(2)9-17-12-8-14-7-11(15-12)16(3)6-4-5-13/h7-8,10H,4,6,9H2,1-3H3
InChIKeyBQRPLRGPNSMEDI-UHFFFAOYSA-N
XLogP1.86
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile (CID 71913848) is 3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile is CC(C)COc1cncc(N(C)CCC#N)n1.
What is the InChIKey of 3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile?
The InChIKey is BQRPLRGPNSMEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(2)9-17-12-8-14-7-11(15-12)16(3)6-4-5-13/h7-8,10H,4,6,9H2,1-3H3.
What are the key properties of 3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile?
3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile has a molecular weight of 234.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanenitrile is sourced from PubChem (CID 71913848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).