3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile

C13H11FN4 — CID 80510429

IUPAC3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile
SMILESCN(Cc1ccccc1F)c1nnccc1C#N
InChIInChI=1S/C13H11FN4/c1-18(9-11-4-2-3-5-12(11)14)13-10(8-15)6-7-16-17-13/h2-7H,9H2,1H3
InChIKeyOMYLXNHSTNKTRZ-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.12
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile

3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile (PubChem CID 80510429) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile
PubChem CID80510429
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile
SMILESCN(Cc1ccccc1F)c1nnccc1C#N
InChIInChI=1S/C13H11FN4/c1-18(9-11-4-2-3-5-12(11)14)13-10(8-15)6-7-16-17-13/h2-7H,9H2,1H3
InChIKeyOMYLXNHSTNKTRZ-UHFFFAOYSA-N
XLogP2.12
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile
CID 80510431
3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
CID 80510980
3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile
CID 80510270
2-amino-3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 104716346
3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile
CID 80510544
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile
CID 80505836
3-(dipropylamino)pyridazine-4-carbonitrile
CID 80508670
3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 47078108
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine
CID 62141923
6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143016
3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide
CID 106915460
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 106788061

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile (CID 80510429) is 3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile is CN(Cc1ccccc1F)c1nnccc1C#N.
What is the InChIKey of 3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile?
The InChIKey is OMYLXNHSTNKTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-18(9-11-4-2-3-5-12(11)14)13-10(8-15)6-7-16-17-13/h2-7H,9H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile?
3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).