3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile

C10H14N4O — CID 55209211

IUPAC3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile
SMILESCCn1ccnc(N(C)CCC#N)c1=O
InChIInChI=1S/C10H14N4O/c1-3-14-8-6-12-9(10(14)15)13(2)7-4-5-11/h6,8H,3-4,7H2,1-2H3
InChIKeyNAKWZGOJEPKLSV-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.61
Rot. Bonds4

About 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile

3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile (PubChem CID 55209211) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile
PubChem CID55209211
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile
SMILESCCn1ccnc(N(C)CCC#N)c1=O
InChIInChI=1S/C10H14N4O/c1-3-14-8-6-12-9(10(14)15)13(2)7-4-5-11/h6,8H,3-4,7H2,1-2H3
InChIKeyNAKWZGOJEPKLSV-UHFFFAOYSA-N
XLogP0.61
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile?
The IUPAC name of 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile (CID 55209211) is 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile is CCn1ccnc(N(C)CCC#N)c1=O.
What is the InChIKey of 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile?
The InChIKey is NAKWZGOJEPKLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-14-8-6-12-9(10(14)15)13(2)7-4-5-11/h6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile?
3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile has a molecular weight of 206.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile is sourced from PubChem (CID 55209211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).