2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one

C11H12N4O — CID 103294212

IUPAC2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESO=c1c2c([nH]n1-c1cccnn1)CCCC2
InChIInChI=1S/C11H12N4O/c16-11-8-4-1-2-5-9(8)14-15(11)10-6-3-7-12-13-10/h3,6-7,14H,1-2,4-5H2
InChIKeyRXOUZCJCCWQHPW-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.83
Rot. Bonds1

About 2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one

2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 103294212) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID103294212
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESO=c1c2c([nH]n1-c1cccnn1)CCCC2
InChIInChI=1S/C11H12N4O/c16-11-8-4-1-2-5-9(8)14-15(11)10-6-3-7-12-13-10/h3,6-7,14H,1-2,4-5H2
InChIKeyRXOUZCJCCWQHPW-UHFFFAOYSA-N
XLogP0.83
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one (CID 103294212) is 2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one is O=c1c2c([nH]n1-c1cccnn1)CCCC2.
What is the InChIKey of 2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is RXOUZCJCCWQHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c16-11-8-4-1-2-5-9(8)14-15(11)10-6-3-7-12-13-10/h3,6-7,14H,1-2,4-5H2.
What are the key properties of 2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one?
2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 216.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 103294212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).