1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol

C11H14N6O2 — CID 138008300

IUPAC1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
SMILESCOc1ccnc(N2CC(O)(c3cnnn3C)C2)n1
InChIInChI=1S/C11H14N6O2/c1-16-8(5-13-15-16)11(18)6-17(7-11)10-12-4-3-9(14-10)19-2/h3-5,18H,6-7H2,1-2H3
InChIKeyFUKFQLAKBFLWTE-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.68
Rot. Bonds3

About 1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol

1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol (PubChem CID 138008300) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
PubChem CID138008300
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
SMILESCOc1ccnc(N2CC(O)(c3cnnn3C)C2)n1
InChIInChI=1S/C11H14N6O2/c1-16-8(5-13-15-16)11(18)6-17(7-11)10-12-4-3-9(14-10)19-2/h3-5,18H,6-7H2,1-2H3
InChIKeyFUKFQLAKBFLWTE-UHFFFAOYSA-N
XLogP-0.68
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol (CID 138008300) is 1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol is COc1ccnc(N2CC(O)(c3cnnn3C)C2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
The InChIKey is FUKFQLAKBFLWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-16-8(5-13-15-16)11(18)6-17(7-11)10-12-4-3-9(14-10)19-2/h3-5,18H,6-7H2,1-2H3.
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol has a molecular weight of 262.27 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol is sourced from PubChem (CID 138008300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).