6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine

C14H16FN3S — CID 133305060

IUPAC6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine
SMILESCSCCCNc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C14H16FN3S/c1-19-10-2-9-16-14-8-7-13(17-18-14)11-3-5-12(15)6-4-11/h3-8H,2,9-10H2,1H3,(H,16,18)
InChIKeyXGESZDVNTWOUPV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.45
Rot. Bonds6

About 6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine

6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine (PubChem CID 133305060) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine
PubChem CID133305060
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine
SMILESCSCCCNc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C14H16FN3S/c1-19-10-2-9-16-14-8-7-13(17-18-14)11-3-5-12(15)6-4-11/h3-8H,2,9-10H2,1H3,(H,16,18)
InChIKeyXGESZDVNTWOUPV-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.45
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

6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine
CID 133325228
3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971920
3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
CID 82090396
6-(3-methylsulfanylpropylamino)pyridazine-3-carboxylic acid
CID 63959161
N-[1-(4-fluorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43180866
3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 29133545
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 133405580
6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine
CID 62202156
N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970403
N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191433
N'-[6-(4-chlorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191432
4-ethylsulfanyl-2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]butanoic acid
CID 108777948

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine (CID 133305060) is 6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine is CSCCCNc1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of 6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine?
The InChIKey is XGESZDVNTWOUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-19-10-2-9-16-14-8-7-13(17-18-14)11-3-5-12(15)6-4-11/h3-8H,2,9-10H2,1H3,(H,16,18).
What are the key properties of 6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine?
6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine has a molecular weight of 277.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine is sourced from PubChem (CID 133305060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).