3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one

C15H25N3O2 — CID 62928639

IUPAC3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2(CO)CCCC(C)C2)c1=O
InChIInChI=1S/C15H25N3O2/c1-3-8-18-9-7-16-13(14(18)20)17-15(11-19)6-4-5-12(2)10-15/h7,9,12,19H,3-6,8,10-11H2,1-2H3,(H,16,17)
InChIKeyPBNYVDUKFPUMLW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.01
Rot. Bonds5

About 3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one

3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one (PubChem CID 62928639) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
PubChem CID62928639
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2(CO)CCCC(C)C2)c1=O
InChIInChI=1S/C15H25N3O2/c1-3-8-18-9-7-16-13(14(18)20)17-15(11-19)6-4-5-12(2)10-15/h7,9,12,19H,3-6,8,10-11H2,1-2H3,(H,16,17)
InChIKeyPBNYVDUKFPUMLW-UHFFFAOYSA-N
XLogP2.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 63761629
3-[[1-(chloromethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
CID 65028800
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one
CID 63760024
3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928468
3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one
CID 62940974
[1-[(1-ethylimidazol-2-yl)methylamino]-3-methylcyclohexyl]methanol
CID 62552492
4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136975443
methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate
CID 62526363
3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one
CID 55155845
[3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol
CID 62526536
3-[[1-(chloromethyl)cyclohexyl]amino]-1-ethylpyrazin-2-one
CID 65028801
3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one
CID 63830300

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one (CID 62928639) is 3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC2(CO)CCCC(C)C2)c1=O.
What is the InChIKey of 3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one?
The InChIKey is PBNYVDUKFPUMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-8-18-9-7-16-13(14(18)20)17-15(11-19)6-4-5-12(2)10-15/h7,9,12,19H,3-6,8,10-11H2,1-2H3,(H,16,17).
What are the key properties of 3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one?
3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one has a molecular weight of 279.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62928639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).