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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Related Compounds

5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210482
3-(3-bromo-4-methylpiperidin-1-yl)-2,5-dimethylpyrazine
CID 102961228
2,5-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]pyrazine
CID 94450674
2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine
CID 94450675
1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 133470261
3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine
CID 80680091
1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 65419285
3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine
CID 59776855
2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine
CID 134697947
2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide
CID 126808174
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
3-[4-(1-chloroethyl)piperidin-1-yl]-2,5-dimethylpyrazine
CID 106838567

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).