4-methyl-1,2,4-triazol-3-amine;hydroiodide

C3H7IN4 — CID 69399533

IUPAC4-methyl-1,2,4-triazol-3-amine;hydroiodide
SMILESCn1cnnc1N.I
InChIInChI=1S/C3H6N4.HI/c1-7-2-5-6-3(7)4;/h2H,1H3,(H2,4,6);1H
InChIKeyHXNCSJSTNBVDIF-UHFFFAOYSA-N
MW226.02 g/mol
LogP0.02
Rot. Bonds

About 4-methyl-1,2,4-triazol-3-amine;hydroiodide

4-methyl-1,2,4-triazol-3-amine;hydroiodide (PubChem CID 69399533) has the molecular formula C3H7IN4 and a molecular weight of 226.02 g/mol. Its IUPAC name is 4-methyl-1,2,4-triazol-3-amine;hydroiodide.

Molecular Properties

Compound Name4-methyl-1,2,4-triazol-3-amine;hydroiodide
PubChem CID69399533
Molecular FormulaC3H7IN4
Molecular Weight226.02 g/mol
Exact Mass225.97
IUPAC Name4-methyl-1,2,4-triazol-3-amine;hydroiodide
SMILESCn1cnnc1N.I
InChIInChI=1S/C3H6N4.HI/c1-7-2-5-6-3(7)4;/h2H,1H3,(H2,4,6);1H
InChIKeyHXNCSJSTNBVDIF-UHFFFAOYSA-N
XLogP0.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.02
LogP ≤ 50.02
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 4-methyl-1,2,4-triazol-3-amine;hydroiodide?
The IUPAC name of 4-methyl-1,2,4-triazol-3-amine;hydroiodide (CID 69399533) is 4-methyl-1,2,4-triazol-3-amine;hydroiodide.
What is the SMILES notation for 4-methyl-1,2,4-triazol-3-amine;hydroiodide?
The canonical SMILES for 4-methyl-1,2,4-triazol-3-amine;hydroiodide is Cn1cnnc1N.I.
What is the InChIKey of 4-methyl-1,2,4-triazol-3-amine;hydroiodide?
The InChIKey is HXNCSJSTNBVDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.HI/c1-7-2-5-6-3(7)4;/h2H,1H3,(H2,4,6);1H.
What are the key properties of 4-methyl-1,2,4-triazol-3-amine;hydroiodide?
4-methyl-1,2,4-triazol-3-amine;hydroiodide has a molecular weight of 226.02 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,4-triazol-3-amine;hydroiodide is sourced from PubChem (CID 69399533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).