3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one

C13H19N3O — CID 53015080

IUPAC3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one
SMILESO=c1c(N2CCCCCC2)nccn1C1CC1
InChIInChI=1S/C13H19N3O/c17-13-12(15-8-3-1-2-4-9-15)14-7-10-16(13)11-5-6-11/h7,10-11H,1-6,8-9H2
InChIKeyZOYTYNBVOXJQGN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.96
Rot. Bonds2

About 3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one

3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one (PubChem CID 53015080) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one
PubChem CID53015080
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one
SMILESO=c1c(N2CCCCCC2)nccn1C1CC1
InChIInChI=1S/C13H19N3O/c17-13-12(15-8-3-1-2-4-9-15)14-7-10-16(13)11-5-6-11/h7,10-11H,1-6,8-9H2
InChIKeyZOYTYNBVOXJQGN-UHFFFAOYSA-N
XLogP1.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one
CID 62927586
1-Cyclopropyl-3-(hexan-3-ylamino)pyrazin-2-one
CID 62929153
3-[4-(3-Aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one
CID 62938574
3-[4-(2-Aminoethyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one
CID 62939102
3-(Cycloheptylamino)-1-cyclopropylpyrazin-2-one
CID 62939320
3-[2-(Azepan-1-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62939887
3-[2-(Azepan-1-yl)ethylamino]-1-cyclopropylpyrazin-2-one
CID 62940042
1-Cyclopropyl-3-(pentylamino)pyrazin-2-one
CID 62940345
1-Cyclopropyl-3-(heptan-2-ylamino)pyrazin-2-one
CID 62940728
3-(Cyclohexylamino)-1-cyclopropylpyrazin-2-one
CID 62940870
3-[(2-Aminocycloheptyl)amino]-1-cyclopropylpyrazin-2-one
CID 63258585
3-[2-Aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one
CID 63765664

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one (CID 53015080) is 3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one is O=c1c(N2CCCCCC2)nccn1C1CC1.
What is the InChIKey of 3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one?
The InChIKey is ZOYTYNBVOXJQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13-12(15-8-3-1-2-4-9-15)14-7-10-16(13)11-5-6-11/h7,10-11H,1-6,8-9H2.
What are the key properties of 3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one?
3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 53015080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).