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

C10H13N3O3 — CID 116579533

IUPAC(3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)C1(N)CCOC1
InChIInChI=1S/C10H13N3O3/c1-15-9-7(12-3-4-13-9)8(14)10(11)2-5-16-6-10/h3-4H,2,5-6,11H2,1H3
InChIKeyHRRBKNTWCVCTRQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.21
Rot. Bonds3

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

(3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone (PubChem CID 116579533) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone
PubChem CID116579533
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)C1(N)CCOC1
InChIInChI=1S/C10H13N3O3/c1-15-9-7(12-3-4-13-9)8(14)10(11)2-5-16-6-10/h3-4H,2,5-6,11H2,1H3
InChIKeyHRRBKNTWCVCTRQ-UHFFFAOYSA-N
XLogP-0.21
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of (3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone (CID 116579533) is (3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for (3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for (3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)C1(N)CCOC1.
What is the InChIKey of (3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is HRRBKNTWCVCTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-9-7(12-3-4-13-9)8(14)10(11)2-5-16-6-10/h3-4H,2,5-6,11H2,1H3.
What are the key properties of (3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone?
(3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 223.23 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 116579533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).