[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine

C13H19N5S — CID 105316509

IUPAC[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
SMILESCn1ncnc1CC(NN)C1CCCc2sccc21
InChIInChI=1S/C13H19N5S/c1-18-13(15-8-16-18)7-11(17-14)9-3-2-4-12-10(9)5-6-19-12/h5-6,8-9,11,17H,2-4,7,14H2,1H3
InChIKeyMCANFYBISPOMTE-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.37
Rot. Bonds4

About [2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine

[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine (PubChem CID 105316509) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is [2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
PubChem CID105316509
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
SMILESCn1ncnc1CC(NN)C1CCCc2sccc21
InChIInChI=1S/C13H19N5S/c1-18-13(15-8-16-18)7-11(17-14)9-3-2-4-12-10(9)5-6-19-12/h5-6,8-9,11,17H,2-4,7,14H2,1H3
InChIKeyMCANFYBISPOMTE-UHFFFAOYSA-N
XLogP1.37
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine (CID 105316509) is [2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine is Cn1ncnc1CC(NN)C1CCCc2sccc21.
What is the InChIKey of [2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The InChIKey is MCANFYBISPOMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-18-13(15-8-16-18)7-11(17-14)9-3-2-4-12-10(9)5-6-19-12/h5-6,8-9,11,17H,2-4,7,14H2,1H3.
What are the key properties of [2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine has a molecular weight of 277.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105316509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).