4-iodo-2H-triazole

C2H2IN3 — CID 19365942

IUPAC4-iodo-2H-triazole
SMILESIc1cn[nH]n1
InChIInChI=1S/C2H2IN3/c3-2-1-4-6-5-2/h1H,(H,4,5,6)
InChIKeyRWPISZUNOCYFHY-UHFFFAOYSA-N
MW194.96 g/mol
LogP0.41
Rot. Bonds

About 4-iodo-2H-triazole

4-iodo-2H-triazole (PubChem CID 19365942) has the molecular formula C2H2IN3 and a molecular weight of 194.96 g/mol. Its IUPAC name is 4-iodo-2H-triazole.

Molecular Properties

Compound Name4-iodo-2H-triazole
PubChem CID19365942
Molecular FormulaC2H2IN3
Molecular Weight194.96 g/mol
Exact Mass194.93
IUPAC Name4-iodo-2H-triazole
SMILESIc1cn[nH]n1
InChIInChI=1S/C2H2IN3/c3-2-1-4-6-5-2/h1H,(H,4,5,6)
InChIKeyRWPISZUNOCYFHY-UHFFFAOYSA-N
XLogP0.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.96
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-iodo-2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-1,2,3-Triazole
CID 67516
1H-1,2,3-Triazol-1-amine
CID 3825723
1H-1,2,3-triazol-1-amine hydrochloride
CID 121552667
4-Fluoro-2H-1,2,3-triazole
CID 19365949
Triazole hydrate
CID 19755304
1,3-Diaza-2-azanidacyclopenta-3,5-diene
CID 20248821
Silyltriazole
CID 22051848
Triazole hydrochloride
CID 22133982
2H-1,2,3-Triazol-2-amine
CID 22600751
Triazolyl phosphine
CID 53967180
Triazole iodide
CID 66693646
2H-triazole;hydrobromide
CID 66801332

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2H-triazole?
The IUPAC name of 4-iodo-2H-triazole (CID 19365942) is 4-iodo-2H-triazole.
What is the SMILES notation for 4-iodo-2H-triazole?
The canonical SMILES for 4-iodo-2H-triazole is Ic1cn[nH]n1.
What is the InChIKey of 4-iodo-2H-triazole?
The InChIKey is RWPISZUNOCYFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2IN3/c3-2-1-4-6-5-2/h1H,(H,4,5,6).
What are the key properties of 4-iodo-2H-triazole?
4-iodo-2H-triazole has a molecular weight of 194.96 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2H-triazole is sourced from PubChem (CID 19365942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).