3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one

C11H9N5O — CID 3076447

IUPAC3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one
SMILESCn1nccc1-n1nnc2ccccc2c1=O
InChIInChI=1S/C11H9N5O/c1-15-10(6-7-12-15)16-11(17)8-4-2-3-5-9(8)13-14-16/h2-7H,1H3
InChIKeyQFKCYRYVUWSVRE-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.51
Rot. Bonds1

About 3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one

3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one (PubChem CID 3076447) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one
PubChem CID3076447
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one
SMILESCn1nccc1-n1nnc2ccccc2c1=O
InChIInChI=1S/C11H9N5O/c1-15-10(6-7-12-15)16-11(17)8-4-2-3-5-9(8)13-14-16/h2-7H,1H3
InChIKeyQFKCYRYVUWSVRE-UHFFFAOYSA-N
XLogP0.51
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one (CID 3076447) is 3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one is Cn1nccc1-n1nnc2ccccc2c1=O.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one?
The InChIKey is QFKCYRYVUWSVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-15-10(6-7-12-15)16-11(17)8-4-2-3-5-9(8)13-14-16/h2-7H,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one?
3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one has a molecular weight of 227.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 3076447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).