3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile

C14H13FN4 — CID 61095850

IUPAC3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1cc(F)ccc1Nc1nnc(C)c(C)c1C#N
InChIInChI=1S/C14H13FN4/c1-8-6-11(15)4-5-13(8)17-14-12(7-16)9(2)10(3)18-19-14/h4-6H,1-3H3,(H,17,19)
InChIKeyVBLLMJJZFRASFJ-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.16
Rot. Bonds2

About 3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile

3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 61095850) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID61095850
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1cc(F)ccc1Nc1nnc(C)c(C)c1C#N
InChIInChI=1S/C14H13FN4/c1-8-6-11(15)4-5-13(8)17-14-12(7-16)9(2)10(3)18-19-14/h4-6H,1-3H3,(H,17,19)
InChIKeyVBLLMJJZFRASFJ-UHFFFAOYSA-N
XLogP3.16
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096439
5,6-dimethyl-3-(2,4,5-trifluoroanilino)pyridazine-4-carbonitrile
CID 62815401
3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097029
3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097247
5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile
CID 107644815
3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 133361981
3-(4-bromo-3,5-dimethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 107574599
3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096638
5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 61096636
5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile
CID 60731996
5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile
CID 62783443
5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile
CID 107585528

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile (CID 61095850) is 3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile is Cc1cc(F)ccc1Nc1nnc(C)c(C)c1C#N.
What is the InChIKey of 3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is VBLLMJJZFRASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-8-6-11(15)4-5-13(8)17-14-12(7-16)9(2)10(3)18-19-14/h4-6H,1-3H3,(H,17,19).
What are the key properties of 3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile?
3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 256.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 61095850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).