3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one

C11H19N3O2 — CID 103703097

IUPAC3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one
SMILESCCCC(C)(O)CNc1nccn(C)c1=O
InChIInChI=1S/C11H19N3O2/c1-4-5-11(2,16)8-13-9-10(15)14(3)7-6-12-9/h6-7,16H,4-5,8H2,1-3H3,(H,12,13)
InChIKeyHXPHDHOIHLNPSK-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.74
Rot. Bonds5

About 3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one

3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one (PubChem CID 103703097) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one
PubChem CID103703097
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one
SMILESCCCC(C)(O)CNc1nccn(C)c1=O
InChIInChI=1S/C11H19N3O2/c1-4-5-11(2,16)8-13-9-10(15)14(3)7-6-12-9/h6-7,16H,4-5,8H2,1-3H3,(H,12,13)
InChIKeyHXPHDHOIHLNPSK-UHFFFAOYSA-N
XLogP0.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 115658440
3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
CID 66168864
N,2,2-trimethyl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
CID 103823192
1-methyl-3-(octylamino)pyrazin-2-one
CID 113337455
ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939727
1-methyl-3-(2-methylbutylamino)pyrazin-2-one
CID 62938700
3-[(1-chloro-2-methylbutan-2-yl)amino]-1-methylpyrazin-2-one
CID 65028349
3-[2-[ethyl(methyl)amino]ethylamino]-1-methylpyrazin-2-one
CID 62938529
5-chloro-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819393
tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate
CID 115657447
1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one
CID 62938349
4-bromo-5-[(2-hydroxy-2-methylpentyl)amino]-2-methylpyridazin-3-one
CID 113235103

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one (CID 103703097) is 3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one is CCCC(C)(O)CNc1nccn(C)c1=O.
What is the InChIKey of 3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one?
The InChIKey is HXPHDHOIHLNPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-11(2,16)8-13-9-10(15)14(3)7-6-12-9/h6-7,16H,4-5,8H2,1-3H3,(H,12,13).
What are the key properties of 3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one?
3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one has a molecular weight of 225.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 103703097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).