6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile

C12H9FN4 — CID 163350337

IUPAC6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile
SMILESCc1ccc(Nc2ccc(C#N)nn2)cc1F
InChIInChI=1S/C12H9FN4/c1-8-2-3-9(6-11(8)13)15-12-5-4-10(7-14)16-17-12/h2-6H,1H3,(H,15,17)
InChIKeyHGHKOAWSXJJAKV-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.54
Rot. Bonds2

About 6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile

6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile (PubChem CID 163350337) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile
PubChem CID163350337
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile
SMILESCc1ccc(Nc2ccc(C#N)nn2)cc1F
InChIInChI=1S/C12H9FN4/c1-8-2-3-9(6-11(8)13)15-12-5-4-10(7-14)16-17-12/h2-6H,1H3,(H,15,17)
InChIKeyHGHKOAWSXJJAKV-UHFFFAOYSA-N
XLogP2.54
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile
CID 163350395
2-chloro-6-(3-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 83074701
6-(4-ethylanilino)pyridazine-3-carbonitrile
CID 163350318
N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide
CID 133419002
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine
CID 6404338
6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile
CID 133418635
6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile
CID 133418637
3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
CID 43657209
N-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 53414490
N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide
CID 133415991
6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile
CID 133419252
6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 115602143

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile?
The IUPAC name of 6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile (CID 163350337) is 6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile is Cc1ccc(Nc2ccc(C#N)nn2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile?
The InChIKey is HGHKOAWSXJJAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c1-8-2-3-9(6-11(8)13)15-12-5-4-10(7-14)16-17-12/h2-6H,1H3,(H,15,17).
What are the key properties of 6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile?
6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile has a molecular weight of 228.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile is sourced from PubChem (CID 163350337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).