3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide

C8H17IN6O — CID 163419335

IUPAC3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide
SMILESC[NH+](C)CCCn1cc(C(=O)NN)nn1.[I-]
InChIInChI=1S/C8H16N6O.HI/c1-13(2)4-3-5-14-6-7(11-12-14)8(15)10-9;/h6H,3-5,9H2,1-2H3,(H,10,15);1H
InChIKeyZXYKKGYHPSQYID-UHFFFAOYSA-N
MW340.17 g/mol
LogP-5.58
Rot. Bonds5

About 3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide

3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide (PubChem CID 163419335) has the molecular formula C8H17IN6O and a molecular weight of 340.17 g/mol. Its IUPAC name is 3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide.

Molecular Properties

Compound Name3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide
PubChem CID163419335
Molecular FormulaC8H17IN6O
Molecular Weight340.17 g/mol
Exact Mass340.05
IUPAC Name3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide
SMILESC[NH+](C)CCCn1cc(C(=O)NN)nn1.[I-]
InChIInChI=1S/C8H16N6O.HI/c1-13(2)4-3-5-14-6-7(11-12-14)8(15)10-9;/h6H,3-5,9H2,1-2H3,(H,10,15);1H
InChIKeyZXYKKGYHPSQYID-UHFFFAOYSA-N
XLogP-5.58
TPSA90.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 5-5.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide?
The IUPAC name of 3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide (CID 163419335) is 3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide.
What is the SMILES notation for 3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide?
The canonical SMILES for 3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide is C[NH+](C)CCCn1cc(C(=O)NN)nn1.[I-].
What is the InChIKey of 3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide?
The InChIKey is ZXYKKGYHPSQYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O.HI/c1-13(2)4-3-5-14-6-7(11-12-14)8(15)10-9;/h6H,3-5,9H2,1-2H3,(H,10,15);1H.
What are the key properties of 3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide?
3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide has a molecular weight of 340.17 g/mol, XLogP of -5.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydrazinecarbonyl)triazol-1-yl]propyl-dimethylazanium iodide is sourced from PubChem (CID 163419335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).