2-but-2-ynylpyridazin-3-one

C8H8N2O — CID 126857262

IUPAC2-but-2-ynylpyridazin-3-one
SMILESCC#CCn1ncccc1=O
InChIInChI=1S/C8H8N2O/c1-2-3-7-10-8(11)5-4-6-9-10/h4-6H,7H2,1H3
InChIKeyYYNDNMMRGFMXJC-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.27
Rot. Bonds1

About 2-but-2-ynylpyridazin-3-one

2-but-2-ynylpyridazin-3-one (PubChem CID 126857262) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-but-2-ynylpyridazin-3-one.

Molecular Properties

Compound Name2-but-2-ynylpyridazin-3-one
PubChem CID126857262
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-but-2-ynylpyridazin-3-one
SMILESCC#CCn1ncccc1=O
InChIInChI=1S/C8H8N2O/c1-2-3-7-10-8(11)5-4-6-9-10/h4-6H,7H2,1H3
InChIKeyYYNDNMMRGFMXJC-UHFFFAOYSA-N
XLogP0.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylpyridazin-3(2H)-one
CID 12200169
2-t-Butyl-2h-pyridazin-3-one
CID 12778309
3(2H)-Pyridazinone, 2-(2-propenyl)-
CID 12237248
2-(2-Fluoroethyl)pyridazin-3-one
CID 173672755
2-(2-Fluorobutyl)pyridazin-3-one
CID 130621297
2-Butylpyridazin-3-one
CID 12758395
2-Methyl-3-(6-oxopyridazin-1-yl)propanenitrile
CID 12787609
2-(Propan-2-yl)-2,3-dihydropyridazin-3-one
CID 19915066
2-Ethylpyridazin-3-one
CID 21479093
2-Propylpyridazin-3-one
CID 21479118
2-Methylpyridazin-3-one;dihydrochloride
CID 21991433
2-Methylpyridazin-3-one;hydrochloride
CID 23018228

Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynylpyridazin-3-one?
The IUPAC name of 2-but-2-ynylpyridazin-3-one (CID 126857262) is 2-but-2-ynylpyridazin-3-one.
What is the SMILES notation for 2-but-2-ynylpyridazin-3-one?
The canonical SMILES for 2-but-2-ynylpyridazin-3-one is CC#CCn1ncccc1=O.
What is the InChIKey of 2-but-2-ynylpyridazin-3-one?
The InChIKey is YYNDNMMRGFMXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-3-7-10-8(11)5-4-6-9-10/h4-6H,7H2,1H3.
What are the key properties of 2-but-2-ynylpyridazin-3-one?
2-but-2-ynylpyridazin-3-one has a molecular weight of 148.16 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynylpyridazin-3-one is sourced from PubChem (CID 126857262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).