3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one

C12H19N3O2 — CID 62940974

IUPAC3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC2(CO)CCCCC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-15-8-7-13-10(11(15)17)14-12(9-16)5-3-2-4-6-12/h7-8,16H,2-6,9H2,1H3,(H,13,14)
InChIKeyRGODTFSCJRRQNH-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.89
Rot. Bonds3

About 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one

3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one (PubChem CID 62940974) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one
PubChem CID62940974
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC2(CO)CCCCC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-15-8-7-13-10(11(15)17)14-12(9-16)5-3-2-4-6-12/h7-8,16H,2-6,9H2,1H3,(H,13,14)
InChIKeyRGODTFSCJRRQNH-UHFFFAOYSA-N
XLogP0.89
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one
CID 55155845
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one
CID 63760024
3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 62928639
3-[[1-(chloromethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
CID 65028800
3-[[1-(chloromethyl)cyclohexyl]amino]-1-ethylpyrazin-2-one
CID 65028801
[1-[(3-aminopyrazin-2-yl)amino]cyclohexyl]methanol
CID 102984251
3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928468
3-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]-1-methylpyrazin-2-one
CID 164637001
[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 114598842
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
CID 62939564
3-[(4-hydroxyoxan-4-yl)methylamino]-1-methylpyrazin-2-one
CID 79026561
[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol
CID 62521331

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one (CID 62940974) is 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one is Cn1ccnc(NC2(CO)CCCCC2)c1=O.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one?
The InChIKey is RGODTFSCJRRQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-8-7-13-10(11(15)17)14-12(9-16)5-3-2-4-6-12/h7-8,16H,2-6,9H2,1H3,(H,13,14).
What are the key properties of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one?
3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 62940974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).