3-propan-2-yloxy-1,2,3-benzotriazin-4-one

C10H11N3O2 — CID 58235374

IUPAC3-propan-2-yloxy-1,2,3-benzotriazin-4-one
SMILESCC(C)On1nnc2ccccc2c1=O
InChIInChI=1S/C10H11N3O2/c1-7(2)15-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-7H,1-2H3
InChIKeyNWLRDEZHNSHQHD-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.63
Rot. Bonds2

About 3-propan-2-yloxy-1,2,3-benzotriazin-4-one

3-propan-2-yloxy-1,2,3-benzotriazin-4-one (PubChem CID 58235374) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-propan-2-yloxy-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-propan-2-yloxy-1,2,3-benzotriazin-4-one
PubChem CID58235374
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-propan-2-yloxy-1,2,3-benzotriazin-4-one
SMILESCC(C)On1nnc2ccccc2c1=O
InChIInChI=1S/C10H11N3O2/c1-7(2)15-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-7H,1-2H3
InChIKeyNWLRDEZHNSHQHD-UHFFFAOYSA-N
XLogP0.63
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-propan-2-yloxy-1,2,3-benzotriazin-4-one (CID 58235374) is 3-propan-2-yloxy-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-propan-2-yloxy-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-propan-2-yloxy-1,2,3-benzotriazin-4-one is CC(C)On1nnc2ccccc2c1=O.
What is the InChIKey of 3-propan-2-yloxy-1,2,3-benzotriazin-4-one?
The InChIKey is NWLRDEZHNSHQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(2)15-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-7H,1-2H3.
What are the key properties of 3-propan-2-yloxy-1,2,3-benzotriazin-4-one?
3-propan-2-yloxy-1,2,3-benzotriazin-4-one has a molecular weight of 205.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 58235374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).