3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one

C15H25N3O — CID 64741093

IUPAC3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCCC(CC)C2)c1=O
InChIInChI=1S/C15H25N3O/c1-3-9-18-10-8-16-14(15(18)19)17-13-7-5-6-12(4-2)11-13/h8,10,12-13H,3-7,9,11H2,1-2H3,(H,16,17)
InChIKeyRMLYGSBNXPMQHD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.03
Rot. Bonds5

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

3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one (PubChem CID 64741093) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one
PubChem CID64741093
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCCC(CC)C2)c1=O
InChIInChI=1S/C15H25N3O/c1-3-9-18-10-8-16-14(15(18)19)17-13-7-5-6-12(4-2)11-13/h8,10,12-13H,3-7,9,11H2,1-2H3,(H,16,17)
InChIKeyRMLYGSBNXPMQHD-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one (CID 64741093) is 3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC2CCCC(CC)C2)c1=O.
What is the InChIKey of 3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one?
The InChIKey is RMLYGSBNXPMQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-9-18-10-8-16-14(15(18)19)17-13-7-5-6-12(4-2)11-13/h8,10,12-13H,3-7,9,11H2,1-2H3,(H,16,17).
What are the key properties of 3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one?
3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylcyclohexyl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 64741093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).