3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one

C15H26N4O — CID 64927091

IUPAC3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC2CCCCC2N)c1=O
InChIInChI=1S/C15H26N4O/c1-11(2)10-19-8-7-17-14(15(19)20)18-9-12-5-3-4-6-13(12)16/h7-8,11-13H,3-6,9-10,16H2,1-2H3,(H,17,18)
InChIKeyQXFJHQHFXQOQQJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.83
Rot. Bonds5

About 3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 64927091) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID64927091
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC2CCCCC2N)c1=O
InChIInChI=1S/C15H26N4O/c1-11(2)10-19-8-7-17-14(15(19)20)18-9-12-5-3-4-6-13(12)16/h7-8,11-13H,3-6,9-10,16H2,1-2H3,(H,17,18)
InChIKeyQXFJHQHFXQOQQJ-UHFFFAOYSA-N
XLogP1.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 64927091) is 3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCC2CCCCC2N)c1=O.
What is the InChIKey of 3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is QXFJHQHFXQOQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)10-19-8-7-17-14(15(19)20)18-9-12-5-3-4-6-13(12)16/h7-8,11-13H,3-6,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 64927091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).