[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C9H9F3N6S — CID 102721368

IUPAC[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCn1cnnc1Sc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C9H9F3N6S/c1-18-4-14-17-8(18)19-7-3-5(9(10,11)12)2-6(15-7)16-13/h2-4H,13H2,1H3,(H,15,16)
InChIKeyUNBXGJULXDNBTF-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.67
Rot. Bonds3

About [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102721368) has the molecular formula C9H9F3N6S and a molecular weight of 290.27 g/mol. Its IUPAC name is [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102721368
Molecular FormulaC9H9F3N6S
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC Name[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCn1cnnc1Sc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C9H9F3N6S/c1-18-4-14-17-8(18)19-7-3-5(9(10,11)12)2-6(15-7)16-13/h2-4H,13H2,1H3,(H,15,16)
InChIKeyUNBXGJULXDNBTF-UHFFFAOYSA-N
XLogP1.67
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.67
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'}

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Related Compounds

[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721387
[2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 113401999
[6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 106928799
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721373
[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721407
[6-(4-methylpyrimidin-2-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721413
[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721378
N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720216
4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882973
[6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721404
2-ethyl-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 80937646
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpyrimidin-4-amine
CID 115915971

Frequently Asked Questions

What is the IUPAC name of [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102721368) is [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine is Cn1cnnc1Sc1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is UNBXGJULXDNBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6S/c1-18-4-14-17-8(18)19-7-3-5(9(10,11)12)2-6(15-7)16-13/h2-4H,13H2,1H3,(H,15,16).
What are the key properties of [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 290.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102721368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).