[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine

C9H12IN5S — CID 107066621

IUPAC[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
SMILESCn1cc(CC(NN)c2csc(I)c2)nn1
InChIInChI=1S/C9H12IN5S/c1-15-4-7(13-14-15)3-8(12-11)6-2-9(10)16-5-6/h2,4-5,8,12H,3,11H2,1H3
InChIKeyVSNZCAMMJKATDO-UHFFFAOYSA-N
MW349.20 g/mol
LogP1.23
Rot. Bonds4

About [1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine

[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine (PubChem CID 107066621) has the molecular formula C9H12IN5S and a molecular weight of 349.20 g/mol. Its IUPAC name is [1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
PubChem CID107066621
Molecular FormulaC9H12IN5S
Molecular Weight349.20 g/mol
Exact Mass348.99
IUPAC Name[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
SMILESCn1cc(CC(NN)c2csc(I)c2)nn1
InChIInChI=1S/C9H12IN5S/c1-15-4-7(13-14-15)3-8(12-11)6-2-9(10)16-5-6/h2,4-5,8,12H,3,11H2,1H3
InChIKeyVSNZCAMMJKATDO-UHFFFAOYSA-N
XLogP1.23
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064211
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065610
[1-(3,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066319
[1-(4-methoxythiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066630
[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107065873
[2-(1-methyltriazol-4-yl)-1-quinolin-6-ylethyl]hydrazine
CID 107066065
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105316041
[2-(1-methyltriazol-4-yl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 107066667
[1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066747
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105319051
[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105296570
[2-(3,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105290057

Frequently Asked Questions

What is the IUPAC name of [1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine (CID 107066621) is [1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine is Cn1cc(CC(NN)c2csc(I)c2)nn1.
What is the InChIKey of [1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The InChIKey is VSNZCAMMJKATDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN5S/c1-15-4-7(13-14-15)3-8(12-11)6-2-9(10)16-5-6/h2,4-5,8,12H,3,11H2,1H3.
What are the key properties of [1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine has a molecular weight of 349.20 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 107066621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).