1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol

C9H12N2O2 — CID 104514651

IUPAC1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol
SMILESCOc1nccnc1C1(O)CCC1
InChIInChI=1S/C9H12N2O2/c1-13-8-7(10-5-6-11-8)9(12)3-2-4-9/h5-6,12H,2-4H2,1H3
InChIKeyMCEBOXXMPBVZIP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.86
Rot. Bonds2

About 1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol

1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol (PubChem CID 104514651) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol
PubChem CID104514651
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol
SMILESCOc1nccnc1C1(O)CCC1
InChIInChI=1S/C9H12N2O2/c1-13-8-7(10-5-6-11-8)9(12)3-2-4-9/h5-6,12H,2-4H2,1H3
InChIKeyMCEBOXXMPBVZIP-UHFFFAOYSA-N
XLogP0.86
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol (CID 104514651) is 1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol is COc1nccnc1C1(O)CCC1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol?
The InChIKey is MCEBOXXMPBVZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-8-7(10-5-6-11-8)9(12)3-2-4-9/h5-6,12H,2-4H2,1H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol?
1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol has a molecular weight of 180.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 104514651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).