5-hydroxy-2-prop-2-ynylpyridazin-3-one

C7H6N2O2 — CID 57147962

IUPAC5-hydroxy-2-prop-2-ynylpyridazin-3-one
SMILESC#CCn1ncc(O)cc1=O
InChIInChI=1S/C7H6N2O2/c1-2-3-9-7(11)4-6(10)5-8-9/h1,4-5,10H,3H2
InChIKeyJQOZYDBGQUNLLM-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.42
Rot. Bonds1

About 5-hydroxy-2-prop-2-ynylpyridazin-3-one

5-hydroxy-2-prop-2-ynylpyridazin-3-one (PubChem CID 57147962) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-hydroxy-2-prop-2-ynylpyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-prop-2-ynylpyridazin-3-one
PubChem CID57147962
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name5-hydroxy-2-prop-2-ynylpyridazin-3-one
SMILESC#CCn1ncc(O)cc1=O
InChIInChI=1S/C7H6N2O2/c1-2-3-9-7(11)4-6(10)5-8-9/h1,4-5,10H,3H2
InChIKeyJQOZYDBGQUNLLM-UHFFFAOYSA-N
XLogP-0.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-Hydroxy-2-methyl-2,3-dihydropyridazin-3-one
CID 58493404
5-Hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 57012818
1-Allyl-5-bromo-6-hydroxypyridazin-6-one
CID 54715448
4-Chloro-5-hydroxy-2-(prop-2-en-1-yl)pyridazin-3(2H)-one
CID 54685550
2-(4-Hydroxy-6-oxopyridazin-1-yl)acetonitrile
CID 57213933
5-Hydroxy-2-propan-2-ylpyridazin-3-one
CID 129450951
5-Hydroxy-1,2-dimethylpyridazin-1-ium-3-one
CID 122229069
5-Hydroxy-2-(2-methylpropyl)pyridazin-3-one
CID 129450962
2-Ethyl-5-hydroxy-2,3-dihydropyridazin-3-one
CID 129452088

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-prop-2-ynylpyridazin-3-one?
The IUPAC name of 5-hydroxy-2-prop-2-ynylpyridazin-3-one (CID 57147962) is 5-hydroxy-2-prop-2-ynylpyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-prop-2-ynylpyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-prop-2-ynylpyridazin-3-one is C#CCn1ncc(O)cc1=O.
What is the InChIKey of 5-hydroxy-2-prop-2-ynylpyridazin-3-one?
The InChIKey is JQOZYDBGQUNLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-2-3-9-7(11)4-6(10)5-8-9/h1,4-5,10H,3H2.
What are the key properties of 5-hydroxy-2-prop-2-ynylpyridazin-3-one?
5-hydroxy-2-prop-2-ynylpyridazin-3-one has a molecular weight of 150.14 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-prop-2-ynylpyridazin-3-one is sourced from PubChem (CID 57147962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).