[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C8H8F3N7S — CID 102721387

IUPAC[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCn1nnnc1Sc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C8H8F3N7S/c1-18-7(15-16-17-18)19-6-3-4(8(9,10)11)2-5(13-6)14-12/h2-3H,12H2,1H3,(H,13,14)
InChIKeyBAGXMFHVMMCOFO-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.06
Rot. Bonds3

About [6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102721387) has the molecular formula C8H8F3N7S and a molecular weight of 291.26 g/mol. Its IUPAC name is [6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102721387
Molecular FormulaC8H8F3N7S
Molecular Weight291.26 g/mol
Exact Mass291.05
IUPAC Name[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCn1nnnc1Sc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C8H8F3N7S/c1-18-7(15-16-17-18)19-6-3-4(8(9,10)11)2-5(13-6)14-12/h2-3H,12H2,1H3,(H,13,14)
InChIKeyBAGXMFHVMMCOFO-UHFFFAOYSA-N
XLogP1.06
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720216
[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721368
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721373
[6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 106928799
[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721407
2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 164645832
[6-(4-methylpyrimidin-2-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721413
[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721378
[4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922093
[6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721404
[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine
CID 114769847
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720149

Frequently Asked Questions

What is the IUPAC name of [6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102721387) is [6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine is Cn1nnnc1Sc1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of [6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is BAGXMFHVMMCOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N7S/c1-18-7(15-16-17-18)19-6-3-4(8(9,10)11)2-5(13-6)14-12/h2-3H,12H2,1H3,(H,13,14).
What are the key properties of [6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 291.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102721387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).