3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one

C10H13N3O2 — CID 115694801

IUPAC3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NC1CC2CCC1O2
InChIInChI=1S/C10H13N3O2/c14-10-9(11-3-4-12-10)13-7-5-6-1-2-8(7)15-6/h3-4,6-8H,1-2,5H2,(H,11,13)(H,12,14)
InChIKeyMSKOZDHJFGDUKD-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.50
Rot. Bonds2

About 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one

3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one (PubChem CID 115694801) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one
PubChem CID115694801
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NC1CC2CCC1O2
InChIInChI=1S/C10H13N3O2/c14-10-9(11-3-4-12-10)13-7-5-6-1-2-8(7)15-6/h3-4,6-8H,1-2,5H2,(H,11,13)(H,12,14)
InChIKeyMSKOZDHJFGDUKD-UHFFFAOYSA-N
XLogP0.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one
CID 115868834
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1-propan-2-ylpyrazin-2-one
CID 80721082
3-[(2-aminocyclopentyl)amino]-1H-pyrazin-2-one
CID 114570941
3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 115677773
3-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrazin-2-one
CID 103703713
5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
CID 103760464
3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
CID 103703038
4-N,6-N-bis[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyrimidine-4,6-diamine
CID 129429968
6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80853390
5-ethyl-6-N-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80853830
3-(azepan-3-ylamino)-1H-pyrazin-2-one
CID 114570966
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731922

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one?
The IUPAC name of 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one (CID 115694801) is 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one is O=c1[nH]ccnc1NC1CC2CCC1O2.
What is the InChIKey of 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one?
The InChIKey is MSKOZDHJFGDUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10-9(11-3-4-12-10)13-7-5-6-1-2-8(7)15-6/h3-4,6-8H,1-2,5H2,(H,11,13)(H,12,14).
What are the key properties of 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one?
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 115694801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).