3-(azepan-3-ylamino)-1H-pyrazin-2-one

C10H16N4O — CID 114570966

IUPAC3-(azepan-3-ylamino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NC1CCCCNC1
InChIInChI=1S/C10H16N4O/c15-10-9(12-5-6-13-10)14-8-3-1-2-4-11-7-8/h5-6,8,11H,1-4,7H2,(H,12,14)(H,13,15)
InChIKeyGJSZJILCQZDVFL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.32
Rot. Bonds2

About 3-(azepan-3-ylamino)-1H-pyrazin-2-one

3-(azepan-3-ylamino)-1H-pyrazin-2-one (PubChem CID 114570966) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(azepan-3-ylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(azepan-3-ylamino)-1H-pyrazin-2-one
PubChem CID114570966
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-(azepan-3-ylamino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NC1CCCCNC1
InChIInChI=1S/C10H16N4O/c15-10-9(12-5-6-13-10)14-8-3-1-2-4-11-7-8/h5-6,8,11H,1-4,7H2,(H,12,14)(H,13,15)
InChIKeyGJSZJILCQZDVFL-UHFFFAOYSA-N
XLogP0.32
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
CID 103703038
3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 114569134
3-methyl-N-piperidin-3-ylpyrazin-2-amine;hydrochloride
CID 71639312
3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one
CID 115880977
3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
CID 114568815
3-[(2-aminocyclopentyl)amino]-1H-pyrazin-2-one
CID 114570941
N-[(3S)-azepan-3-yl]-7H-purin-6-amine
CID 167844435
3-(1-cyclohexylethylamino)-1H-pyrazin-2-one
CID 115657798
1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one
CID 63321025
3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 115677773
(3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine
CID 128875739
3-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrazin-2-one
CID 103703713

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-3-ylamino)-1H-pyrazin-2-one?
The IUPAC name of 3-(azepan-3-ylamino)-1H-pyrazin-2-one (CID 114570966) is 3-(azepan-3-ylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(azepan-3-ylamino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(azepan-3-ylamino)-1H-pyrazin-2-one is O=c1[nH]ccnc1NC1CCCCNC1.
What is the InChIKey of 3-(azepan-3-ylamino)-1H-pyrazin-2-one?
The InChIKey is GJSZJILCQZDVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10-9(12-5-6-13-10)14-8-3-1-2-4-11-7-8/h5-6,8,11H,1-4,7H2,(H,12,14)(H,13,15).
What are the key properties of 3-(azepan-3-ylamino)-1H-pyrazin-2-one?
3-(azepan-3-ylamino)-1H-pyrazin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-3-ylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 114570966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).