1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole

C16H10N8O2 — CID 59246660

IUPAC1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole
SMILESc1ccc2c(c1)nnn2Oc1cnc(On2nnc3ccccc32)nc1
InChIInChI=1S/C16H10N8O2/c1-3-7-14-12(5-1)19-21-23(14)25-11-9-17-16(18-10-11)26-24-15-8-4-2-6-13(15)20-22-24/h1-10H
InChIKeyUUFISPATVMPEOV-UHFFFAOYSA-N
MW346.31 g/mol
LogP1.65
Rot. Bonds4

About 1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole

1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole (PubChem CID 59246660) has the molecular formula C16H10N8O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole.

Molecular Properties

Compound Name1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole
PubChem CID59246660
Molecular FormulaC16H10N8O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole
SMILESc1ccc2c(c1)nnn2Oc1cnc(On2nnc3ccccc32)nc1
InChIInChI=1S/C16H10N8O2/c1-3-7-14-12(5-1)19-21-23(14)25-11-9-17-16(18-10-11)26-24-15-8-4-2-6-13(15)20-22-24/h1-10H
InChIKeyUUFISPATVMPEOV-UHFFFAOYSA-N
XLogP1.65
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole?
The IUPAC name of 1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole (CID 59246660) is 1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole.
What is the SMILES notation for 1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole?
The canonical SMILES for 1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole is c1ccc2c(c1)nnn2Oc1cnc(On2nnc3ccccc32)nc1.
What is the InChIKey of 1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole?
The InChIKey is UUFISPATVMPEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N8O2/c1-3-7-14-12(5-1)19-21-23(14)25-11-9-17-16(18-10-11)26-24-15-8-4-2-6-13(15)20-22-24/h1-10H.
What are the key properties of 1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole?
1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole has a molecular weight of 346.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole is sourced from PubChem (CID 59246660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).