3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one

C16H27N3O2 — CID 62928468

IUPAC3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2(CO)CCC(C)CC2)c1=O
InChIInChI=1S/C16H27N3O2/c1-12(2)10-19-9-8-17-14(15(19)21)18-16(11-20)6-4-13(3)5-7-16/h8-9,12-13,20H,4-7,10-11H2,1-3H3,(H,17,18)
InChIKeyYCYPDLWEBMANOO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.25
Rot. Bonds5

About 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one

3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62928468) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62928468
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2(CO)CCC(C)CC2)c1=O
InChIInChI=1S/C16H27N3O2/c1-12(2)10-19-9-8-17-14(15(19)21)18-16(11-20)6-4-13(3)5-7-16/h8-9,12-13,20H,4-7,10-11H2,1-3H3,(H,17,18)
InChIKeyYCYPDLWEBMANOO-UHFFFAOYSA-N
XLogP2.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 62928639
3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 65118811
3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one
CID 55155845
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one
CID 62940974
3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 107866306
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106185827
3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156990
3-[[1-(aminomethyl)cyclopropyl]methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 113313728
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
N-cyclopropyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 79394717
3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62940182

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one (CID 62928468) is 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NC2(CO)CCC(C)CC2)c1=O.
What is the InChIKey of 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is YCYPDLWEBMANOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)10-19-9-8-17-14(15(19)21)18-16(11-20)6-4-13(3)5-7-16/h8-9,12-13,20H,4-7,10-11H2,1-3H3,(H,17,18).
What are the key properties of 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 293.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62928468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).