4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H9FN6S — CID 80895321

IUPAC4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Sc2cccc(F)c2)nc(-n2cccn2)n1
InChIInChI=1S/C12H9FN6S/c13-8-3-1-4-9(7-8)20-12-17-10(14)16-11(18-12)19-6-2-5-15-19/h1-7H,(H2,14,16,17,18)
InChIKeyRUIOCFXGOCZUNW-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.93
Rot. Bonds3

About 4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80895321) has the molecular formula C12H9FN6S and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80895321
Molecular FormulaC12H9FN6S
Molecular Weight288.31 g/mol
Exact Mass288.06
IUPAC Name4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Sc2cccc(F)c2)nc(-n2cccn2)n1
InChIInChI=1S/C12H9FN6S/c13-8-3-1-4-9(7-8)20-12-17-10(14)16-11(18-12)19-6-2-5-15-19/h1-7H,(H2,14,16,17,18)
InChIKeyRUIOCFXGOCZUNW-UHFFFAOYSA-N
XLogP1.93
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80885105
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883733
4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80887155
2-(3-bromophenyl)sulfanyl-4-chloro-6-pyrazol-1-yl-1,3,5-triazine
CID 62866172
4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine
CID 80894655
2-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 116798311
4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883813
4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80894397
4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102988931
4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887003
4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80891024
4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886142

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80895321) is 4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Nc1nc(Sc2cccc(F)c2)nc(-n2cccn2)n1.
What is the InChIKey of 4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is RUIOCFXGOCZUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN6S/c13-8-3-1-4-9(7-8)20-12-17-10(14)16-11(18-12)19-6-2-5-15-19/h1-7H,(H2,14,16,17,18).
What are the key properties of 4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80895321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).