[1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine

C8H11BrN6S — CID 107066094

IUPAC[1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
SMILESCn1nnc(CC(NN)c2ccc(Br)s2)n1
InChIInChI=1S/C8H11BrN6S/c1-15-13-8(12-14-15)4-5(11-10)6-2-3-7(9)16-6/h2-3,5,11H,4,10H2,1H3
InChIKeyXIXVLVDILFXNJU-UHFFFAOYSA-N
MW303.19 g/mol
LogP0.78
Rot. Bonds4

About [1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine

[1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine (PubChem CID 107066094) has the molecular formula C8H11BrN6S and a molecular weight of 303.19 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
PubChem CID107066094
Molecular FormulaC8H11BrN6S
Molecular Weight303.19 g/mol
Exact Mass301.99
IUPAC Name[1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
SMILESCn1nnc(CC(NN)c2ccc(Br)s2)n1
InChIInChI=1S/C8H11BrN6S/c1-15-13-8(12-14-15)4-5(11-10)6-2-3-7(9)16-6/h2-3,5,11H,4,10H2,1H3
InChIKeyXIXVLVDILFXNJU-UHFFFAOYSA-N
XLogP0.78
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 50.78
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

[1-(4,5-dimethylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066965
[1-(5-bromothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105222106
[1-(2,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066786
[1-(2-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066919
[1-(5-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066756
1-(5-bromothiophen-2-yl)propylhydrazine
CID 105222163
[1-(5-bromothiophen-2-yl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
CID 105222148
[1-(5-bromo-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 112742241
[1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105222035
[2-(2-methyltetrazol-5-yl)-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 107066800
[2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine
CID 107066305
[1-(1-methylimidazol-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066330

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine (CID 107066094) is [1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine is Cn1nnc(CC(NN)c2ccc(Br)s2)n1.
What is the InChIKey of [1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine?
The InChIKey is XIXVLVDILFXNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN6S/c1-15-13-8(12-14-15)4-5(11-10)6-2-3-7(9)16-6/h2-3,5,11H,4,10H2,1H3.
What are the key properties of [1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine?
[1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine has a molecular weight of 303.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 107066094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).