pyridazine;hydrate

C4H6N2O — CID 126455774

IUPACpyridazine;hydrate
SMILESO.c1ccnnc1
InChIInChI=1S/C4H4N2.H2O/c1-2-4-6-5-3-1;/h1-4H;1H2
InChIKeyDWOALGBRZSZACH-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.35
Rot. Bonds

About pyridazine;hydrate

pyridazine;hydrate (PubChem CID 126455774) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is pyridazine;hydrate.

Molecular Properties

Compound Namepyridazine;hydrate
PubChem CID126455774
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Namepyridazine;hydrate
SMILESO.c1ccnnc1
InChIInChI=1S/C4H4N2.H2O/c1-2-4-6-5-3-1;/h1-4H;1H2
InChIKeyDWOALGBRZSZACH-UHFFFAOYSA-N
XLogP-0.35
TPSA57.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyridazine
CID 9259
4-Methylpyridazine
CID 136882
3-Chloropyridazine
CID 11274989
4-Pyridazinemethanamine
CID 15034997
Pyridazine-4-carbonitrile
CID 15781246
Pyridazine 1-oxide
CID 137016
3-Bromopyridazine
CID 13126699
3-(Tributylstannanyl)pyridazine
CID 2763260
4-(Tributylstannyl)pyridazine
CID 6409733
3-Iodopyridazine
CID 11298682
4-Bromopyridazine
CID 17888927
3-Fluoropyridazine
CID 18987697

Frequently Asked Questions

What is the IUPAC name of pyridazine;hydrate?
The IUPAC name of pyridazine;hydrate (CID 126455774) is pyridazine;hydrate.
What is the SMILES notation for pyridazine;hydrate?
The canonical SMILES for pyridazine;hydrate is O.c1ccnnc1.
What is the InChIKey of pyridazine;hydrate?
The InChIKey is DWOALGBRZSZACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.H2O/c1-2-4-6-5-3-1;/h1-4H;1H2.
What are the key properties of pyridazine;hydrate?
pyridazine;hydrate has a molecular weight of 98.10 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazine;hydrate is sourced from PubChem (CID 126455774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).