3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile

C14H13FN4 — CID 116971924

IUPAC3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile
SMILESCc1cc(-c2ccc(NCCC#N)nn2)ccc1F
InChIInChI=1S/C14H13FN4/c1-10-9-11(3-4-12(10)15)13-5-6-14(19-18-13)17-8-2-7-16/h3-6,9H,2,8H2,1H3,(H,17,19)
InChIKeyQAKBITIPRWTQJO-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.92
Rot. Bonds4

About 3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile

3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile (PubChem CID 116971924) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile
PubChem CID116971924
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile
SMILESCc1cc(-c2ccc(NCCC#N)nn2)ccc1F
InChIInChI=1S/C14H13FN4/c1-10-9-11(3-4-12(10)15)13-5-6-14(19-18-13)17-8-2-7-16/h3-6,9H,2,8H2,1H3,(H,17,19)
InChIKeyQAKBITIPRWTQJO-UHFFFAOYSA-N
XLogP2.92
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971920
3-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971923
3-[[6-(2,5-dimethylphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971919
3-[[6-(3-methoxyphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971959
N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970403
N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
CID 116970458
6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine
CID 62201604
3-[[6-(1H-pyrrol-2-yl)pyridazin-3-yl]amino]propanenitrile
CID 116971941
2-fluoro-5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzonitrile
CID 67452272
6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde
CID 82284842
3-[(6-ethylpyridazin-3-yl)amino]propanenitrile
CID 116971907
2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile
CID 116971845

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile?
The IUPAC name of 3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile (CID 116971924) is 3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile.
What is the SMILES notation for 3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile?
The canonical SMILES for 3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile is Cc1cc(-c2ccc(NCCC#N)nn2)ccc1F.
What is the InChIKey of 3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile?
The InChIKey is QAKBITIPRWTQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-10-9-11(3-4-12(10)15)13-5-6-14(19-18-13)17-8-2-7-16/h3-6,9H,2,8H2,1H3,(H,17,19).
What are the key properties of 3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile?
3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile has a molecular weight of 256.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile is sourced from PubChem (CID 116971924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).