3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one

C12H21N3O2 — CID 62940182

IUPAC3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCCC(CO)Nc1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-10(8-16)14-11-12(17)15(6-5-13-11)7-9(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyLYNJKETUPQBPCQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.08
Rot. Bonds6

About 3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one

3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62940182) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62940182
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCCC(CO)Nc1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-10(8-16)14-11-12(17)15(6-5-13-11)7-9(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyLYNJKETUPQBPCQ-UHFFFAOYSA-N
XLogP1.08
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 114155564
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 107866306
methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate
CID 62938384
3-[(4-chloro-1-methoxybutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106154116
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
methyl 4-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]pentanoate
CID 62939090
1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one
CID 114210811
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106185827
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 62940182) is 3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one is CCC(CO)Nc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is LYNJKETUPQBPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-10(8-16)14-11-12(17)15(6-5-13-11)7-9(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,13,14).
What are the key properties of 3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 239.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62940182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).