[(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine

C8H11N5S — CID 105230618

IUPAC[(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ncn[nH]2)cs1
InChIInChI=1S/C8H11N5S/c1-5-2-6(3-14-5)7(12-9)8-10-4-11-13-8/h2-4,7,12H,9H2,1H3,(H,10,11,13)
InChIKeyRADLHDLAXPFWIS-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.73
Rot. Bonds3

About [(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine

[(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine (PubChem CID 105230618) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is [(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
PubChem CID105230618
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name[(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ncn[nH]2)cs1
InChIInChI=1S/C8H11N5S/c1-5-2-6(3-14-5)7(12-9)8-10-4-11-13-8/h2-4,7,12H,9H2,1H3,(H,10,11,13)
InChIKeyRADLHDLAXPFWIS-UHFFFAOYSA-N
XLogP0.73
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

[(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230645
[(3-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230496
[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230377
[(4-phenylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230368
[(2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230315
[(3-ethyl-1-methylpyrazol-4-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 102813127
[(5-methylthiophen-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313203
[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]hydrazine
CID 105230450
[(4,5-dimethylthiophen-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313200
[(3-ethylthiophen-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313192
[(1,5-dimethylpyrazol-4-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313281
[(3,4-difluorophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105197212

Frequently Asked Questions

What is the IUPAC name of [(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The IUPAC name of [(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine (CID 105230618) is [(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine is Cc1cc(C(NN)c2ncn[nH]2)cs1.
What is the InChIKey of [(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The InChIKey is RADLHDLAXPFWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-5-2-6(3-14-5)7(12-9)8-10-4-11-13-8/h2-4,7,12H,9H2,1H3,(H,10,11,13).
What are the key properties of [(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
[(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine has a molecular weight of 209.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105230618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).