3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one

C14H24N4O — CID 79111761

IUPAC3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one
SMILESCCN(c1nccn(CC)c1=O)C1CCC(N)CC1
InChIInChI=1S/C14H24N4O/c1-3-17-10-9-16-13(14(17)19)18(4-2)12-7-5-11(15)6-8-12/h9-12H,3-8,15H2,1-2H3
InChIKeyDKCPBKNAULHXIT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.36
Rot. Bonds4

About 3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one

3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one (PubChem CID 79111761) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one
PubChem CID79111761
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one
SMILESCCN(c1nccn(CC)c1=O)C1CCC(N)CC1
InChIInChI=1S/C14H24N4O/c1-3-17-10-9-16-13(14(17)19)18(4-2)12-7-5-11(15)6-8-12/h9-12H,3-8,15H2,1-2H3
InChIKeyDKCPBKNAULHXIT-UHFFFAOYSA-N
XLogP1.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one (CID 79111761) is 3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one is CCN(c1nccn(CC)c1=O)C1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one?
The InChIKey is DKCPBKNAULHXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-17-10-9-16-13(14(17)19)18(4-2)12-7-5-11(15)6-8-12/h9-12H,3-8,15H2,1-2H3.
What are the key properties of 3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one?
3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 79111761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).