1-pyridazin-3-ylpropan-2-ol

C7H10N2O — CID 21265829

IUPAC1-pyridazin-3-ylpropan-2-ol
SMILESCC(O)Cc1cccnn1
InChIInChI=1S/C7H10N2O/c1-6(10)5-7-3-2-4-8-9-7/h2-4,6,10H,5H2,1H3
InChIKeyJQZDZLBKUBXHKY-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.40
Rot. Bonds2

About 1-pyridazin-3-ylpropan-2-ol

1-pyridazin-3-ylpropan-2-ol (PubChem CID 21265829) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-pyridazin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-pyridazin-3-ylpropan-2-ol
PubChem CID21265829
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-pyridazin-3-ylpropan-2-ol
SMILESCC(O)Cc1cccnn1
InChIInChI=1S/C7H10N2O/c1-6(10)5-7-3-2-4-8-9-7/h2-4,6,10H,5H2,1H3
InChIKeyJQZDZLBKUBXHKY-UHFFFAOYSA-N
XLogP0.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-ylpropan-2-ol?
The IUPAC name of 1-pyridazin-3-ylpropan-2-ol (CID 21265829) is 1-pyridazin-3-ylpropan-2-ol.
What is the SMILES notation for 1-pyridazin-3-ylpropan-2-ol?
The canonical SMILES for 1-pyridazin-3-ylpropan-2-ol is CC(O)Cc1cccnn1.
What is the InChIKey of 1-pyridazin-3-ylpropan-2-ol?
The InChIKey is JQZDZLBKUBXHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-6(10)5-7-3-2-4-8-9-7/h2-4,6,10H,5H2,1H3.
What are the key properties of 1-pyridazin-3-ylpropan-2-ol?
1-pyridazin-3-ylpropan-2-ol has a molecular weight of 138.17 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-ylpropan-2-ol is sourced from PubChem (CID 21265829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).