2-methylpyridazin-3-one;hydrate

C5H8N2O2 — CID 174432099

IUPAC2-methylpyridazin-3-one;hydrate
SMILESCn1ncccc1=O.O
InChIInChI=1S/C5H6N2O.H2O/c1-7-5(8)3-2-4-6-7;/h2-4H,1H3;1H2
InChIKeyYCOURJGTMFNVMC-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.04
Rot. Bonds

About 2-methylpyridazin-3-one;hydrate

2-methylpyridazin-3-one;hydrate (PubChem CID 174432099) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-methylpyridazin-3-one;hydrate.

Molecular Properties

Compound Name2-methylpyridazin-3-one;hydrate
PubChem CID174432099
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name2-methylpyridazin-3-one;hydrate
SMILESCn1ncccc1=O.O
InChIInChI=1S/C5H6N2O.H2O/c1-7-5(8)3-2-4-6-7;/h2-4H,1H3;1H2
InChIKeyYCOURJGTMFNVMC-UHFFFAOYSA-N
XLogP-1.04
TPSA66.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyridazin-3-one;hydrate?
The IUPAC name of 2-methylpyridazin-3-one;hydrate (CID 174432099) is 2-methylpyridazin-3-one;hydrate.
What is the SMILES notation for 2-methylpyridazin-3-one;hydrate?
The canonical SMILES for 2-methylpyridazin-3-one;hydrate is Cn1ncccc1=O.O.
What is the InChIKey of 2-methylpyridazin-3-one;hydrate?
The InChIKey is YCOURJGTMFNVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.H2O/c1-7-5(8)3-2-4-6-7;/h2-4H,1H3;1H2.
What are the key properties of 2-methylpyridazin-3-one;hydrate?
2-methylpyridazin-3-one;hydrate has a molecular weight of 128.13 g/mol, XLogP of -1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridazin-3-one;hydrate is sourced from PubChem (CID 174432099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).