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

C15H26N4O — CID 79112198

IUPAC3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCCN(c1nccn(C(C)C)c1=O)C1CCC(N)CC1
InChIInChI=1S/C15H26N4O/c1-4-18(13-7-5-12(16)6-8-13)14-15(20)19(11(2)3)10-9-17-14/h9-13H,4-8,16H2,1-3H3
InChIKeyKXXQBRNINHWALT-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.92
Rot. Bonds4

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

3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 79112198) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID79112198
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCCN(c1nccn(C(C)C)c1=O)C1CCC(N)CC1
InChIInChI=1S/C15H26N4O/c1-4-18(13-7-5-12(16)6-8-13)14-15(20)19(11(2)3)10-9-17-14/h9-13H,4-8,16H2,1-3H3
InChIKeyKXXQBRNINHWALT-UHFFFAOYSA-N
XLogP1.92
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.92
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-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one (CID 79112198) is 3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one is CCN(c1nccn(C(C)C)c1=O)C1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is KXXQBRNINHWALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-18(13-7-5-12(16)6-8-13)14-15(20)19(11(2)3)10-9-17-14/h9-13H,4-8,16H2,1-3H3.
What are the key properties of 3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one?
3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.92, 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-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 79112198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).