[1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine

C12H15ClIN5 — CID 114030598

IUPAC[1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCn1ncnc1CC(NN)c1cc(Cl)ccc1I
InChIInChI=1S/C12H15ClIN5/c1-2-19-12(16-7-17-19)6-11(18-15)9-5-8(13)3-4-10(9)14/h3-5,7,11,18H,2,6,15H2,1H3
InChIKeyHMMQVOYGFWZAAB-UHFFFAOYSA-N
MW391.64 g/mol
LogP2.30
Rot. Bonds5

About [1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 114030598) has the molecular formula C12H15ClIN5 and a molecular weight of 391.64 g/mol. Its IUPAC name is [1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID114030598
Molecular FormulaC12H15ClIN5
Molecular Weight391.64 g/mol
Exact Mass391.01
IUPAC Name[1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCn1ncnc1CC(NN)c1cc(Cl)ccc1I
InChIInChI=1S/C12H15ClIN5/c1-2-19-12(16-7-17-19)6-11(18-15)9-5-8(13)3-4-10(9)14/h3-5,7,11,18H,2,6,15H2,1H3
InChIKeyHMMQVOYGFWZAAB-UHFFFAOYSA-N
XLogP2.30
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.64
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105217914
[1-(2,5-difluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105219430
1-(2,4-dichlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 105002097
[1-(2,6-dimethyl-3-pyridinyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105318472
[1-(3-bromo-5-chlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107948336
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 107993991
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196541
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105318542
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine
CID 106756611
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylethyl]hydrazine
CID 105193684
[1-(1,3-diethylpyrazol-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105318519
[1-(5-chloro-2-iodophenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 114030535

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 114030598) is [1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine is CCn1ncnc1CC(NN)c1cc(Cl)ccc1I.
What is the InChIKey of [1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is HMMQVOYGFWZAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClIN5/c1-2-19-12(16-7-17-19)6-11(18-15)9-5-8(13)3-4-10(9)14/h3-5,7,11,18H,2,6,15H2,1H3.
What are the key properties of [1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 391.64 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 114030598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).