pyridazin-4-ylmethanol

C5H6N2O — CID 13316256

IUPACpyridazin-4-ylmethanol
SMILESOCc1ccnnc1
InChIInChI=1S/C5H6N2O/c8-4-5-1-2-6-7-3-5/h1-3,8H,4H2
InChIKeyGXWAGVFGTPTYAO-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.03
Rot. Bonds1

About pyridazin-4-ylmethanol

pyridazin-4-ylmethanol (PubChem CID 13316256) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is pyridazin-4-ylmethanol.

Molecular Properties

Compound Namepyridazin-4-ylmethanol
PubChem CID13316256
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Namepyridazin-4-ylmethanol
SMILESOCc1ccnnc1
InChIInChI=1S/C5H6N2O/c8-4-5-1-2-6-7-3-5/h1-3,8H,4H2
InChIKeyGXWAGVFGTPTYAO-UHFFFAOYSA-N
XLogP-0.03
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridazin-4-ylmethanol?
The IUPAC name of pyridazin-4-ylmethanol (CID 13316256) is pyridazin-4-ylmethanol.
What is the SMILES notation for pyridazin-4-ylmethanol?
The canonical SMILES for pyridazin-4-ylmethanol is OCc1ccnnc1.
What is the InChIKey of pyridazin-4-ylmethanol?
The InChIKey is GXWAGVFGTPTYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c8-4-5-1-2-6-7-3-5/h1-3,8H,4H2.
What are the key properties of pyridazin-4-ylmethanol?
pyridazin-4-ylmethanol has a molecular weight of 110.12 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-ylmethanol is sourced from PubChem (CID 13316256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).