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

C13H18IN5 — CID 105317416

IUPAC[1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ncnc1CC(NN)c1ccc(I)cc1
InChIInChI=1S/C13H18IN5/c1-9(2)19-13(16-8-17-19)7-12(18-15)10-3-5-11(14)6-4-10/h3-6,8-9,12,18H,7,15H2,1-2H3
InChIKeyYXMTUBSCURMUQA-UHFFFAOYSA-N
MW371.23 g/mol
LogP2.21
Rot. Bonds5

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

[1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105317416) has the molecular formula C13H18IN5 and a molecular weight of 371.23 g/mol. Its IUPAC name is [1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105317416
Molecular FormulaC13H18IN5
Molecular Weight371.23 g/mol
Exact Mass371.06
IUPAC Name[1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ncnc1CC(NN)c1ccc(I)cc1
InChIInChI=1S/C13H18IN5/c1-9(2)19-13(16-8-17-19)7-12(18-15)10-3-5-11(14)6-4-10/h3-6,8-9,12,18H,7,15H2,1-2H3
InChIKeyYXMTUBSCURMUQA-UHFFFAOYSA-N
XLogP2.21
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 52.21
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-(3-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317276
[1-(4-fluoro-3-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105204160
[1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105252827
[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203769
[1-(5-methyl-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317393
[1-(5-chlorofuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106694528
[1-(2-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105191233
[1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211662
[1-(2-ethylfuran-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 114104828
[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105214004
[1-(4-iodophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323447
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424

Frequently Asked Questions

What is the IUPAC name of [1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105317416) is [1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is CC(C)n1ncnc1CC(NN)c1ccc(I)cc1.
What is the InChIKey of [1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is YXMTUBSCURMUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN5/c1-9(2)19-13(16-8-17-19)7-12(18-15)10-3-5-11(14)6-4-10/h3-6,8-9,12,18H,7,15H2,1-2H3.
What are the key properties of [1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 371.23 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105317416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).