3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one

C10H12N4O2 — CID 143661528

IUPAC3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2n1C1CCCOC1
InChIInChI=1S/C10H12N4O2/c15-10-13-8-9(12-4-3-11-8)14(10)7-2-1-5-16-6-7/h3-4,7H,1-2,5-6H2,(H,11,13,15)
InChIKeyVPBVYGSBTXGMPY-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.47
Rot. Bonds1

About 3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one

3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 143661528) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID143661528
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2n1C1CCCOC1
InChIInChI=1S/C10H12N4O2/c15-10-13-8-9(12-4-3-11-8)14(10)7-2-1-5-16-6-7/h3-4,7H,1-2,5-6H2,(H,11,13,15)
InChIKeyVPBVYGSBTXGMPY-UHFFFAOYSA-N
XLogP0.47
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 59825914
4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117208712
5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 66699805
5-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117207901
6-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117207162
7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117206305
7-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117206304
3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 162053405
8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118523352
2-tert-butyl-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117166366
1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 170742162
5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 66699615

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 143661528) is 3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nccnc2n1C1CCCOC1.
What is the InChIKey of 3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is VPBVYGSBTXGMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-10-13-8-9(12-4-3-11-8)14(10)7-2-1-5-16-6-7/h3-4,7H,1-2,5-6H2,(H,11,13,15).
What are the key properties of 3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 143661528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).