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

C14H21N3O — CID 55155641

IUPAC1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one
SMILESCC1CCC(Nc2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C14H21N3O/c1-10-2-4-11(5-3-10)16-13-14(18)17(9-8-15-13)12-6-7-12/h8-12H,2-7H2,1H3,(H,15,16)
InChIKeyPMJXZYCJNNNENS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.57
Rot. Bonds3

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

1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one (PubChem CID 55155641) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one
PubChem CID55155641
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one
SMILESCC1CCC(Nc2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C14H21N3O/c1-10-2-4-11(5-3-10)16-13-14(18)17(9-8-15-13)12-6-7-12/h8-12H,2-7H2,1H3,(H,15,16)
InChIKeyPMJXZYCJNNNENS-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one (CID 55155641) is 1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one is CC1CCC(Nc2nccn(C3CC3)c2=O)CC1.
What is the InChIKey of 1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one?
The InChIKey is PMJXZYCJNNNENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-2-4-11(5-3-10)16-13-14(18)17(9-8-15-13)12-6-7-12/h8-12H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one?
1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one is sourced from PubChem (CID 55155641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).