1-iodotriazol-4-amine

C2H3IN4 — CID 146200393

IUPAC1-iodotriazol-4-amine
SMILESNc1cn(I)nn1
InChIInChI=1S/C2H3IN4/c3-7-1-2(4)5-6-7/h1H,4H2
InChIKeyXFDXZISVCURBHT-UHFFFAOYSA-N
MW209.98 g/mol
LogP0.06
Rot. Bonds

About 1-iodotriazol-4-amine

1-iodotriazol-4-amine (PubChem CID 146200393) has the molecular formula C2H3IN4 and a molecular weight of 209.98 g/mol. Its IUPAC name is 1-iodotriazol-4-amine.

Molecular Properties

Compound Name1-iodotriazol-4-amine
PubChem CID146200393
Molecular FormulaC2H3IN4
Molecular Weight209.98 g/mol
Exact Mass209.94
IUPAC Name1-iodotriazol-4-amine
SMILESNc1cn(I)nn1
InChIInChI=1S/C2H3IN4/c3-7-1-2(4)5-6-7/h1H,4H2
InChIKeyXFDXZISVCURBHT-UHFFFAOYSA-N
XLogP0.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.98
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-sulfanyltriazol-4-amine
CID 18427063
1-(aminomethyl)triazol-4-amine
CID 22639545
4-aminotriazole-1-carbothialdehyde
CID 87917805
1-(2-iodophenyl)triazol-4-amine
CID 79502430
4-butan-2-yl-1-iodotriazole
CID 135182329
1-butan-2-yltriazol-4-amine
CID 79530660
1-(3-fluoropropyl)triazol-4-amine
CID 81110158
1-(3,4,5-trifluorophenyl)triazol-4-amine
CID 79507454
1-(2-chloro-5-iodophenyl)triazol-4-amine
CID 130499667
1-(2-methylbutyl)triazol-4-amine
CID 79531086
1-(1,3-oxazol-5-yl)triazol-4-amine
CID 96636076
1-(3,4-dimethylpent-3-enyl)triazol-4-amine
CID 165481462

Frequently Asked Questions

What is the IUPAC name of 1-iodotriazol-4-amine?
The IUPAC name of 1-iodotriazol-4-amine (CID 146200393) is 1-iodotriazol-4-amine.
What is the SMILES notation for 1-iodotriazol-4-amine?
The canonical SMILES for 1-iodotriazol-4-amine is Nc1cn(I)nn1.
What is the InChIKey of 1-iodotriazol-4-amine?
The InChIKey is XFDXZISVCURBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3IN4/c3-7-1-2(4)5-6-7/h1H,4H2.
What are the key properties of 1-iodotriazol-4-amine?
1-iodotriazol-4-amine has a molecular weight of 209.98 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodotriazol-4-amine is sourced from PubChem (CID 146200393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).