3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide

C11H8F2N4S — CID 80515913

IUPAC3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C11H8F2N4S/c12-8-2-1-6(5-9(8)13)18-11-7(10(14)15)3-4-16-17-11/h1-5H,(H3,14,15)
InChIKeyFOKNPUBHPYFJRN-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.19
Rot. Bonds3

About 3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide

3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide (PubChem CID 80515913) has the molecular formula C11H8F2N4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide
PubChem CID80515913
Molecular FormulaC11H8F2N4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C11H8F2N4S/c12-8-2-1-6(5-9(8)13)18-11-7(10(14)15)3-4-16-17-11/h1-5H,(H3,14,15)
InChIKeyFOKNPUBHPYFJRN-UHFFFAOYSA-N
XLogP2.19
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515661
3-(3-chlorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515673
4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
CID 55180228
4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81294523
3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide
CID 80515873
5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65339872
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methylpyridine-3-carboximidamide
CID 115478457
3-[(2-methylphenyl)methylsulfanyl]pyridazine-4-carboximidamide
CID 80515710
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042
2-(3-chlorophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875519
2,4,5-trifluorobenzenecarboximidamide;hydrochloride
CID 53407269
2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide
CID 55101658

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide?
The IUPAC name of 3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide (CID 80515913) is 3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide?
The InChIKey is FOKNPUBHPYFJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4S/c12-8-2-1-6(5-9(8)13)18-11-7(10(14)15)3-4-16-17-11/h1-5H,(H3,14,15).
What are the key properties of 3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide?
3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide has a molecular weight of 266.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide is sourced from PubChem (CID 80515913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).