4-(6-methylpyridazin-3-yl)oxybenzonitrile

C12H9N3O — CID 176899831

IUPAC4-(6-methylpyridazin-3-yl)oxybenzonitrile
SMILESCc1ccc(Oc2ccc(C#N)cc2)nn1
InChIInChI=1S/C12H9N3O/c1-9-2-7-12(15-14-9)16-11-5-3-10(8-13)4-6-11/h2-7H,1H3
InChIKeySKQRFNIFUGABFD-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.45
Rot. Bonds2

About 4-(6-methylpyridazin-3-yl)oxybenzonitrile

4-(6-methylpyridazin-3-yl)oxybenzonitrile (PubChem CID 176899831) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(6-methylpyridazin-3-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(6-methylpyridazin-3-yl)oxybenzonitrile
PubChem CID176899831
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name4-(6-methylpyridazin-3-yl)oxybenzonitrile
SMILESCc1ccc(Oc2ccc(C#N)cc2)nn1
InChIInChI=1S/C12H9N3O/c1-9-2-7-12(15-14-9)16-11-5-3-10(8-13)4-6-11/h2-7H,1H3
InChIKeySKQRFNIFUGABFD-UHFFFAOYSA-N
XLogP2.45
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile
CID 10847634
4-(6-methylpyridazin-3-yl)oxybenzamide
CID 175939264
4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile
CID 10717549
2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline
CID 61311194
4-cyano-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305592
4-(2,5-dimethylpyrazol-3-yl)oxybenzonitrile
CID 81346146
4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61227794
3-bromo-5-[4-(6-methylpyridazin-3-yl)oxyphenyl]-4,5-dihydro-1,2-oxazole
CID 58126420
4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile
CID 43262138
1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
CID 56920749
4-methoxy(13C)benzonitrile
CID 175991125
2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 107672708

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyridazin-3-yl)oxybenzonitrile?
The IUPAC name of 4-(6-methylpyridazin-3-yl)oxybenzonitrile (CID 176899831) is 4-(6-methylpyridazin-3-yl)oxybenzonitrile.
What is the SMILES notation for 4-(6-methylpyridazin-3-yl)oxybenzonitrile?
The canonical SMILES for 4-(6-methylpyridazin-3-yl)oxybenzonitrile is Cc1ccc(Oc2ccc(C#N)cc2)nn1.
What is the InChIKey of 4-(6-methylpyridazin-3-yl)oxybenzonitrile?
The InChIKey is SKQRFNIFUGABFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-9-2-7-12(15-14-9)16-11-5-3-10(8-13)4-6-11/h2-7H,1H3.
What are the key properties of 4-(6-methylpyridazin-3-yl)oxybenzonitrile?
4-(6-methylpyridazin-3-yl)oxybenzonitrile has a molecular weight of 211.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyridazin-3-yl)oxybenzonitrile is sourced from PubChem (CID 176899831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).