1-(4-methoxypyrimidin-2-yl)oxybenzotriazole

C11H9N5O2 — CID 67560438

IUPAC1-(4-methoxypyrimidin-2-yl)oxybenzotriazole
SMILESCOc1ccnc(On2nnc3ccccc32)n1
InChIInChI=1S/C11H9N5O2/c1-17-10-6-7-12-11(13-10)18-16-9-5-3-2-4-8(9)14-15-16/h2-7H,1H3
InChIKeyLSYPXPPAFBKTBS-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.07
Rot. Bonds3

About 1-(4-methoxypyrimidin-2-yl)oxybenzotriazole

1-(4-methoxypyrimidin-2-yl)oxybenzotriazole (PubChem CID 67560438) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)oxybenzotriazole.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)oxybenzotriazole
PubChem CID67560438
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name1-(4-methoxypyrimidin-2-yl)oxybenzotriazole
SMILESCOc1ccnc(On2nnc3ccccc32)n1
InChIInChI=1S/C11H9N5O2/c1-17-10-6-7-12-11(13-10)18-16-9-5-3-2-4-8(9)14-15-16/h2-7H,1H3
InChIKeyLSYPXPPAFBKTBS-UHFFFAOYSA-N
XLogP1.07
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)oxybenzotriazole?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)oxybenzotriazole (CID 67560438) is 1-(4-methoxypyrimidin-2-yl)oxybenzotriazole.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)oxybenzotriazole?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)oxybenzotriazole is COc1ccnc(On2nnc3ccccc32)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)oxybenzotriazole?
The InChIKey is LSYPXPPAFBKTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-17-10-6-7-12-11(13-10)18-16-9-5-3-2-4-8(9)14-15-16/h2-7H,1H3.
What are the key properties of 1-(4-methoxypyrimidin-2-yl)oxybenzotriazole?
1-(4-methoxypyrimidin-2-yl)oxybenzotriazole has a molecular weight of 243.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)oxybenzotriazole is sourced from PubChem (CID 67560438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).