3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one

C12H21N3O3 — CID 114155564

IUPAC3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCOCC(CO)Nc1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H21N3O3/c1-9(2)6-15-5-4-13-11(12(15)17)14-10(7-16)8-18-3/h4-5,9-10,16H,6-8H2,1-3H3,(H,13,14)
InChIKeyYWTVBOYSUIQCNM-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.32
Rot. Bonds7

About 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one

3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 114155564) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID114155564
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCOCC(CO)Nc1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H21N3O3/c1-9(2)6-15-5-4-13-11(12(15)17)14-10(7-16)8-18-3/h4-5,9-10,16H,6-8H2,1-3H3,(H,13,14)
InChIKeyYWTVBOYSUIQCNM-UHFFFAOYSA-N
XLogP0.32
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62940182
3-[(4-chloro-1-methoxybutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106154116
methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate
CID 62938384
3-[(3-methoxy-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62929149
1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one
CID 114210811
methyl 4-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]pentanoate
CID 62939090
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one
CID 114154979
2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol
CID 106186173
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62929520
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 107866306

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 114155564) is 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is COCC(CO)Nc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is YWTVBOYSUIQCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9(2)6-15-5-4-13-11(12(15)17)14-10(7-16)8-18-3/h4-5,9-10,16H,6-8H2,1-3H3,(H,13,14).
What are the key properties of 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 255.32 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 114155564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).