3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one

C15H24N4O — CID 62940042

IUPAC3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one
SMILESO=c1c(NCCN2CCCCCC2)nccn1C1CC1
InChIInChI=1S/C15H24N4O/c20-15-14(17-8-12-19(15)13-5-6-13)16-7-11-18-9-3-1-2-4-10-18/h8,12-13H,1-7,9-11H2,(H,16,17)
InChIKeyMUAWLOVZNXVIIK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.87
Rot. Bonds5

About 3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one

3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one (PubChem CID 62940042) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one
PubChem CID62940042
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one
SMILESO=c1c(NCCN2CCCCCC2)nccn1C1CC1
InChIInChI=1S/C15H24N4O/c20-15-14(17-8-12-19(15)13-5-6-13)16-7-11-18-9-3-1-2-4-10-18/h8,12-13H,1-7,9-11H2,(H,16,17)
InChIKeyMUAWLOVZNXVIIK-UHFFFAOYSA-N
XLogP1.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one (CID 62940042) is 3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one is O=c1c(NCCN2CCCCCC2)nccn1C1CC1.
What is the InChIKey of 3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one?
The InChIKey is MUAWLOVZNXVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-15-14(17-8-12-19(15)13-5-6-13)16-7-11-18-9-3-1-2-4-10-18/h8,12-13H,1-7,9-11H2,(H,16,17).
What are the key properties of 3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one?
3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 62940042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).