(3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone

C10H12N2O3 — CID 104514951

IUPAC(3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone
SMILESCOc1nccnc1C(=O)C1CCOC1
InChIInChI=1S/C10H12N2O3/c1-14-10-8(11-3-4-12-10)9(13)7-2-5-15-6-7/h3-4,7H,2,5-6H2,1H3
InChIKeySATIUAAVRPDLAU-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.70
Rot. Bonds3

About (3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone

(3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone (PubChem CID 104514951) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone
PubChem CID104514951
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone
SMILESCOc1nccnc1C(=O)C1CCOC1
InChIInChI=1S/C10H12N2O3/c1-14-10-8(11-3-4-12-10)9(13)7-2-5-15-6-7/h3-4,7H,2,5-6H2,1H3
InChIKeySATIUAAVRPDLAU-UHFFFAOYSA-N
XLogP0.70
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone (CID 104514951) is (3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone is COc1nccnc1C(=O)C1CCOC1.
What is the InChIKey of (3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone?
The InChIKey is SATIUAAVRPDLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-14-10-8(11-3-4-12-10)9(13)7-2-5-15-6-7/h3-4,7H,2,5-6H2,1H3.
What are the key properties of (3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone?
(3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone has a molecular weight of 208.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 104514951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).