4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

C11H13FN6S — CID 80921868

IUPAC4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(Sc2ccccc2F)n1
InChIInChI=1S/C11H13FN6S/c1-18(2)10-14-9(17-13)15-11(16-10)19-8-6-4-3-5-7(8)12/h3-6H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyKNYXIEFECBGHFY-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.51
Rot. Bonds4

About 4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 80921868) has the molecular formula C11H13FN6S and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID80921868
Molecular FormulaC11H13FN6S
Molecular Weight280.33 g/mol
Exact Mass280.09
IUPAC Name4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(Sc2ccccc2F)n1
InChIInChI=1S/C11H13FN6S/c1-18(2)10-14-9(17-13)15-11(16-10)19-8-6-4-3-5-7(8)12/h3-6H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyKNYXIEFECBGHFY-UHFFFAOYSA-N
XLogP1.51
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-hydrazinyl-N,N-dimethyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925510
2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80886555
4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80931212
4-(1H-benzimidazol-2-ylsulfanyl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80920631
4-(2-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915893
4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80929799
4-hydrazinyl-N,N-dimethyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80923499
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80927617
6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869964
2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80928492
2-N-benzyl-6-hydrazinyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80917534

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 80921868) is 4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(NN)nc(Sc2ccccc2F)n1.
What is the InChIKey of 4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is KNYXIEFECBGHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6S/c1-18(2)10-14-9(17-13)15-11(16-10)19-8-6-4-3-5-7(8)12/h3-6H,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80921868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).