2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide

C4H9IN4 — CID 75480754

IUPAC2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide
SMILESCc1nc(N)n(C)n1.I
InChIInChI=1S/C4H8N4.HI/c1-3-6-4(5)8(2)7-3;/h1-2H3,(H2,5,6,7);1H
InChIKeyUEPYMKSSFRNQGX-UHFFFAOYSA-N
MW240.05 g/mol
LogP0.32
Rot. Bonds

About 2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide

2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide (PubChem CID 75480754) has the molecular formula C4H9IN4 and a molecular weight of 240.05 g/mol. Its IUPAC name is 2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide.

Molecular Properties

Compound Name2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide
PubChem CID75480754
Molecular FormulaC4H9IN4
Molecular Weight240.05 g/mol
Exact Mass239.99
IUPAC Name2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide
SMILESCc1nc(N)n(C)n1.I
InChIInChI=1S/C4H8N4.HI/c1-3-6-4(5)8(2)7-3;/h1-2H3,(H2,5,6,7);1H
InChIKeyUEPYMKSSFRNQGX-UHFFFAOYSA-N
XLogP0.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.05
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide?
The IUPAC name of 2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide (CID 75480754) is 2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide.
What is the SMILES notation for 2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide?
The canonical SMILES for 2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide is Cc1nc(N)n(C)n1.I.
What is the InChIKey of 2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide?
The InChIKey is UEPYMKSSFRNQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.HI/c1-3-6-4(5)8(2)7-3;/h1-2H3,(H2,5,6,7);1H.
What are the key properties of 2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide?
2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide has a molecular weight of 240.05 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide is sourced from PubChem (CID 75480754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).