3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C11H11N5O2 — CID 2874648

IUPAC3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc2nnn(O)c2c1
InChIInChI=1S/C11H11N5O2/c1-6-4-10(17)13-14-11(6)7-2-3-8-9(5-7)16(18)15-12-8/h2-3,5-6,18H,4H2,1H3,(H,13,17)
InChIKeyJQOQVIARAXGLPP-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.53
Rot. Bonds1

About 3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 2874648) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID2874648
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc2nnn(O)c2c1
InChIInChI=1S/C11H11N5O2/c1-6-4-10(17)13-14-11(6)7-2-3-8-9(5-7)16(18)15-12-8/h2-3,5-6,18H,4H2,1H3,(H,13,17)
InChIKeyJQOQVIARAXGLPP-UHFFFAOYSA-N
XLogP0.53
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 2874648) is 3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc2nnn(O)c2c1.
What is the InChIKey of 3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is JQOQVIARAXGLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-6-4-10(17)13-14-11(6)7-2-3-8-9(5-7)16(18)15-12-8/h2-3,5-6,18H,4H2,1H3,(H,13,17).
What are the key properties of 3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 245.24 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 2874648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).