3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one

C11H19N3O2 — CID 114569048

IUPAC3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one
SMILESCC(C)CC(C)(O)CNc1ncc[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-8(2)6-11(3,16)7-14-9-10(15)13-5-4-12-9/h4-5,8,16H,6-7H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyINTPQZOLSKVAFO-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds5

About 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one

3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one (PubChem CID 114569048) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one
PubChem CID114569048
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one
SMILESCC(C)CC(C)(O)CNc1ncc[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-8(2)6-11(3,16)7-14-9-10(15)13-5-4-12-9/h4-5,8,16H,6-7H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyINTPQZOLSKVAFO-UHFFFAOYSA-N
XLogP0.98
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one
CID 114571037
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193
2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 66180973
N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569295
3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one
CID 127009394
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one
CID 114986519
3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one
CID 115657236
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
5,5-dimethyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]hexanoic acid
CID 114570600
1-[(2-hydroxy-2,4-dimethylpentyl)amino]isoquinolin-7-ol
CID 106539005
2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 80851320
2,4-dimethyl-1-[(2-nitro-3-pyridinyl)amino]pentan-2-ol
CID 113424897

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one (CID 114569048) is 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one is CC(C)CC(C)(O)CNc1ncc[nH]c1=O.
What is the InChIKey of 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one?
The InChIKey is INTPQZOLSKVAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)6-11(3,16)7-14-9-10(15)13-5-4-12-9/h4-5,8,16H,6-7H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one?
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one has a molecular weight of 225.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 114569048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).