1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one

C15H23N3O2 — CID 65118452

IUPAC1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one
SMILESCC1CCC(O)(CNc2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C15H23N3O2/c1-11-4-6-15(20,7-5-11)10-17-13-14(19)18(9-8-16-13)12-2-3-12/h8-9,11-12,20H,2-7,10H2,1H3,(H,16,17)
InChIKeyKHMVCHPWGSXNCO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.93
Rot. Bonds4

About 1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one

1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one (PubChem CID 65118452) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one
PubChem CID65118452
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one
SMILESCC1CCC(O)(CNc2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C15H23N3O2/c1-11-4-6-15(20,7-5-11)10-17-13-14(19)18(9-8-16-13)12-2-3-12/h8-9,11-12,20H,2-7,10H2,1H3,(H,16,17)
InChIKeyKHMVCHPWGSXNCO-UHFFFAOYSA-N
XLogP1.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one (CID 65118452) is 1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one is CC1CCC(O)(CNc2nccn(C3CC3)c2=O)CC1.
What is the InChIKey of 1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one?
The InChIKey is KHMVCHPWGSXNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-4-6-15(20,7-5-11)10-17-13-14(19)18(9-8-16-13)12-2-3-12/h8-9,11-12,20H,2-7,10H2,1H3,(H,16,17).
What are the key properties of 1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one?
1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 65118452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).