3-(azetidin-3-yloxy)-1,2,4-benzotriazine

C10H10N4O — CID 103204985

IUPAC3-(azetidin-3-yloxy)-1,2,4-benzotriazine
SMILESc1ccc2nc(OC3CNC3)nnc2c1
InChIInChI=1S/C10H10N4O/c1-2-4-9-8(3-1)12-10(14-13-9)15-7-5-11-6-7/h1-4,7,11H,5-6H2
InChIKeyQDHQBVQTWVEVKH-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.38
Rot. Bonds2

About 3-(azetidin-3-yloxy)-1,2,4-benzotriazine

3-(azetidin-3-yloxy)-1,2,4-benzotriazine (PubChem CID 103204985) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-(azetidin-3-yloxy)-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-(azetidin-3-yloxy)-1,2,4-benzotriazine
PubChem CID103204985
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-(azetidin-3-yloxy)-1,2,4-benzotriazine
SMILESc1ccc2nc(OC3CNC3)nnc2c1
InChIInChI=1S/C10H10N4O/c1-2-4-9-8(3-1)12-10(14-13-9)15-7-5-11-6-7/h1-4,7,11H,5-6H2
InChIKeyQDHQBVQTWVEVKH-UHFFFAOYSA-N
XLogP0.38
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yloxy)-1,2,4-benzotriazine?
The IUPAC name of 3-(azetidin-3-yloxy)-1,2,4-benzotriazine (CID 103204985) is 3-(azetidin-3-yloxy)-1,2,4-benzotriazine.
What is the SMILES notation for 3-(azetidin-3-yloxy)-1,2,4-benzotriazine?
The canonical SMILES for 3-(azetidin-3-yloxy)-1,2,4-benzotriazine is c1ccc2nc(OC3CNC3)nnc2c1.
What is the InChIKey of 3-(azetidin-3-yloxy)-1,2,4-benzotriazine?
The InChIKey is QDHQBVQTWVEVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-2-4-9-8(3-1)12-10(14-13-9)15-7-5-11-6-7/h1-4,7,11H,5-6H2.
What are the key properties of 3-(azetidin-3-yloxy)-1,2,4-benzotriazine?
3-(azetidin-3-yloxy)-1,2,4-benzotriazine has a molecular weight of 202.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yloxy)-1,2,4-benzotriazine is sourced from PubChem (CID 103204985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).