3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile

C14H13FN4O — CID 133361981

IUPAC3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOc1cc(F)cc(Nc2nnc(C)c(C)c2C#N)c1
InChIInChI=1S/C14H13FN4O/c1-8-9(2)18-19-14(13(8)7-16)17-11-4-10(15)5-12(6-11)20-3/h4-6H,1-3H3,(H,17,19)
InChIKeyBZWGCFOSMGZUCO-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.86
Rot. Bonds3

About 3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile

3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 133361981) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID133361981
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOc1cc(F)cc(Nc2nnc(C)c(C)c2C#N)c1
InChIInChI=1S/C14H13FN4O/c1-8-9(2)18-19-14(13(8)7-16)17-11-4-10(15)5-12(6-11)20-3/h4-6H,1-3H3,(H,17,19)
InChIKeyBZWGCFOSMGZUCO-UHFFFAOYSA-N
XLogP2.86
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096638
3-(4-bromo-3,5-dimethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 107574599
3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61095850
5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile
CID 107644815
5,6-dimethyl-3-(2,4,5-trifluoroanilino)pyridazine-4-carbonitrile
CID 62815401
5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile
CID 60731996
5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile
CID 107585528
5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 61096636
5-(3,5-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375201
3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097029
5-amino-3-(3,5-dimethoxyanilino)-1H-pyrazole-4-carbonitrile
CID 16742947
4-N-(3-fluoro-5-methoxyphenyl)-5-methylpyrimidine-2,4-diamine
CID 114262867

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile (CID 133361981) is 3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile is COc1cc(F)cc(Nc2nnc(C)c(C)c2C#N)c1.
What is the InChIKey of 3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is BZWGCFOSMGZUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8-9(2)18-19-14(13(8)7-16)17-11-4-10(15)5-12(6-11)20-3/h4-6H,1-3H3,(H,17,19).
What are the key properties of 3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile?
3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 272.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133361981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).