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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Related Compounds

3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one
CID 66790593
3-propan-2-yloxypyrido[3,2-d]triazin-4-one
CID 155766310
(4-oxo-1,2,3-benzotriazin-3-yl) dihydrogen phosphate
CID 118622741
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 7061916
3-(3-oxobutan-2-yl)-1,2,3-benzotriazin-4-one
CID 170011258
3-bromo-1,2,3-benzotriazin-4-one
CID 141391394
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
3-(2,2-dimethoxyethyl)-1,2,3-benzotriazin-4-one
CID 66223426
3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one
CID 2806547
(2R,3R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoic acid
CID 94654599
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 39498617
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452

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).