1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one

C15H25N3O — CID 55155831

IUPAC1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one
SMILESCC1CCC(Nc2nccn(C(C)(C)C)c2=O)CC1
InChIInChI=1S/C15H25N3O/c1-11-5-7-12(8-6-11)17-13-14(19)18(10-9-16-13)15(2,3)4/h9-12H,5-8H2,1-4H3,(H,16,17)
InChIKeyODSKOPARFJDOQE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds2

About 1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one

1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one (PubChem CID 55155831) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one
PubChem CID55155831
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one
SMILESCC1CCC(Nc2nccn(C(C)(C)C)c2=O)CC1
InChIInChI=1S/C15H25N3O/c1-11-5-7-12(8-6-11)17-13-14(19)18(10-9-16-13)15(2,3)4/h9-12H,5-8H2,1-4H3,(H,16,17)
InChIKeyODSKOPARFJDOQE-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one (CID 55155831) is 1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one is CC1CCC(Nc2nccn(C(C)(C)C)c2=O)CC1.
What is the InChIKey of 1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one?
The InChIKey is ODSKOPARFJDOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-5-7-12(8-6-11)17-13-14(19)18(10-9-16-13)15(2,3)4/h9-12H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one?
1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one is sourced from PubChem (CID 55155831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).