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

C13H20N4O — CID 62938750

IUPAC3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile
SMILESCCN(CCC#N)c1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H20N4O/c1-4-16(8-5-6-14)12-13(18)17(9-7-15-12)10-11(2)3/h7,9,11H,4-5,8,10H2,1-3H3
InChIKeyDFRXWURWNYBGTJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.64
Rot. Bonds6

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

3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile (PubChem CID 62938750) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile
PubChem CID62938750
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile
SMILESCCN(CCC#N)c1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H20N4O/c1-4-16(8-5-6-14)12-13(18)17(9-7-15-12)10-11(2)3/h7,9,11H,4-5,8,10H2,1-3H3
InChIKeyDFRXWURWNYBGTJ-UHFFFAOYSA-N
XLogP1.64
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanenitrile
CID 63228649
3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928195
3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile
CID 63286547
3-[2-bromoethyl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80676762
methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate
CID 62927824
3-[2-bromoethyl(pentan-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80679831
3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
CID 62929380
3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile
CID 62940669
2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
CID 62940465
3-[2-chloroethyl(cyclobutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 102871723
3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propan-2-ylamino]propanethioamide
CID 62939107
3-[2-chloroethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63388884

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile?
The IUPAC name of 3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile (CID 62938750) is 3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile?
The canonical SMILES for 3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile is CCN(CCC#N)c1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile?
The InChIKey is DFRXWURWNYBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-16(8-5-6-14)12-13(18)17(9-7-15-12)10-11(2)3/h7,9,11H,4-5,8,10H2,1-3H3.
What are the key properties of 3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile?
3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile has a molecular weight of 248.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile is sourced from PubChem (CID 62938750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).