1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one

C13H23N3O — CID 63927744

IUPAC1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
SMILESCCn1ccnc(NC(C)CCC(C)C)c1=O
InChIInChI=1S/C13H23N3O/c1-5-16-9-8-14-12(13(16)17)15-11(4)7-6-10(2)3/h8-11H,5-7H2,1-4H3,(H,14,15)
InChIKeyZVQSXBQLZQNWJG-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.50
Rot. Bonds6

About 1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one

1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one (PubChem CID 63927744) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
PubChem CID63927744
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
SMILESCCn1ccnc(NC(C)CCC(C)C)c1=O
InChIInChI=1S/C13H23N3O/c1-5-16-9-8-14-12(13(16)17)15-11(4)7-6-10(2)3/h8-11H,5-7H2,1-4H3,(H,14,15)
InChIKeyZVQSXBQLZQNWJG-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one
CID 62940940
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62939329
3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one
CID 63760377
1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
CID 103943105
1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one
CID 62939685
N-ethyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-methylpropanamide
CID 103111577
3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one
CID 113486538
1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one
CID 114210811
3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one
CID 62940758
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 115303205

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one (CID 63927744) is 1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one is CCn1ccnc(NC(C)CCC(C)C)c1=O.
What is the InChIKey of 1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one?
The InChIKey is ZVQSXBQLZQNWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-16-9-8-14-12(13(16)17)15-11(4)7-6-10(2)3/h8-11H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one?
1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 63927744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).