[3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine

C11H9F2N3S — CID 80514770

IUPAC[3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine
SMILESNCc1ccnnc1Sc1ccc(F)cc1F
InChIInChI=1S/C11H9F2N3S/c12-8-1-2-10(9(13)5-8)17-11-7(6-14)3-4-15-16-11/h1-5H,6,14H2
InChIKeyWLFKNYXOOZSVFM-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.36
Rot. Bonds3

About [3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine

[3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine (PubChem CID 80514770) has the molecular formula C11H9F2N3S and a molecular weight of 253.28 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine
PubChem CID80514770
Molecular FormulaC11H9F2N3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name[3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine
SMILESNCc1ccnnc1Sc1ccc(F)cc1F
InChIInChI=1S/C11H9F2N3S/c12-8-1-2-10(9(13)5-8)17-11-7(6-14)3-4-15-16-11/h1-5H,6,14H2
InChIKeyWLFKNYXOOZSVFM-UHFFFAOYSA-N
XLogP2.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528725
[3-(2-methoxyphenyl)sulfanylpyridazin-4-yl]methanamine
CID 80514839
(3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine
CID 80514580
[3-(3,4-dimethylphenyl)sulfanylpyridazin-4-yl]methanamine
CID 80514778
[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507987
[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507794
[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine
CID 80514528
[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine
CID 80514737
[3-[(3,5-dimethylphenyl)methylsulfanyl]pyridazin-4-yl]methanamine
CID 80514558
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
[2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552217
[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine
CID 63672826

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine (CID 80514770) is [3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine is NCc1ccnnc1Sc1ccc(F)cc1F.
What is the InChIKey of [3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine?
The InChIKey is WLFKNYXOOZSVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3S/c12-8-1-2-10(9(13)5-8)17-11-7(6-14)3-4-15-16-11/h1-5H,6,14H2.
What are the key properties of [3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine?
[3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine has a molecular weight of 253.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine is sourced from PubChem (CID 80514770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).