1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol

C9H13N3O — CID 65419073

IUPAC1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol
SMILESCc1cnc(C)c(N2CC(O)C2)n1
InChIInChI=1S/C9H13N3O/c1-6-3-10-7(2)9(11-6)12-4-8(13)5-12/h3,8,13H,4-5H2,1-2H3
InChIKeyFCNDOADUBHSTJB-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.27
Rot. Bonds1

About 1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol

1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol (PubChem CID 65419073) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol
PubChem CID65419073
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol
SMILESCc1cnc(C)c(N2CC(O)C2)n1
InChIInChI=1S/C9H13N3O/c1-6-3-10-7(2)9(11-6)12-4-8(13)5-12/h3,8,13H,4-5H2,1-2H3
InChIKeyFCNDOADUBHSTJB-UHFFFAOYSA-N
XLogP0.27
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol?
The IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol (CID 65419073) is 1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol.
What is the SMILES notation for 1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol?
The canonical SMILES for 1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol is Cc1cnc(C)c(N2CC(O)C2)n1.
What is the InChIKey of 1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol?
The InChIKey is FCNDOADUBHSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-3-10-7(2)9(11-6)12-4-8(13)5-12/h3,8,13H,4-5H2,1-2H3.
What are the key properties of 1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol?
1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol has a molecular weight of 179.22 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol is sourced from PubChem (CID 65419073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).