[1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine

C12H17N5S — CID 107066129

IUPAC[1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine
SMILESCn1cc(CC(CSc2ccccc2)NN)nn1
InChIInChI=1S/C12H17N5S/c1-17-8-10(15-16-17)7-11(14-13)9-18-12-5-3-2-4-6-12/h2-6,8,11,14H,7,9,13H2,1H3
InChIKeyZSWGPNLUPVXUFW-UHFFFAOYSA-N
MW263.37 g/mol
LogP0.98
Rot. Bonds6

About [1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine

[1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine (PubChem CID 107066129) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is [1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine
PubChem CID107066129
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name[1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine
SMILESCn1cc(CC(CSc2ccccc2)NN)nn1
InChIInChI=1S/C12H17N5S/c1-17-8-10(15-16-17)7-11(14-13)9-18-12-5-3-2-4-6-12/h2-6,8,11,14H,7,9,13H2,1H3
InChIKeyZSWGPNLUPVXUFW-UHFFFAOYSA-N
XLogP0.98
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049649
[4-methyl-1-(1-methyltriazol-4-yl)hexan-2-yl]hydrazine
CID 107066542
[1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 107066743
1-(3-methylphenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107049671
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557
1-(2-chlorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049700
1-(4-methylphenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047903
[1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine
CID 107066668
[2-(1-methyltriazol-4-yl)-1-pyridin-2-ylethyl]hydrazine
CID 107065906
[1-(2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 105228097
[1-(2-chloro-4-fluorophenyl)-3-(1-methyltriazol-4-yl)propan-2-yl]hydrazine
CID 107066047
[2-(1-methyltriazol-4-yl)-1-(1-phenylpyrazol-3-yl)ethyl]hydrazine
CID 107066649

Frequently Asked Questions

What is the IUPAC name of [1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine (CID 107066129) is [1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine is Cn1cc(CC(CSc2ccccc2)NN)nn1.
What is the InChIKey of [1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine?
The InChIKey is ZSWGPNLUPVXUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-17-8-10(15-16-17)7-11(14-13)9-18-12-5-3-2-4-6-12/h2-6,8,11,14H,7,9,13H2,1H3.
What are the key properties of [1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine?
[1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine has a molecular weight of 263.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 107066129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).