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

C4H9IN4 — CID 71758103

IUPACN,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide
SMILESCNc1nncn1C.I
InChIInChI=1S/C4H8N4.HI/c1-5-4-7-6-3-8(4)2;/h3H,1-2H3,(H,5,7);1H
InChIKeyUXSIASBIXMBFGH-UHFFFAOYSA-N
MW240.05 g/mol
LogP0.47
Rot. Bonds1

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

N,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide (PubChem CID 71758103) has the molecular formula C4H9IN4 and a molecular weight of 240.05 g/mol. Its IUPAC name is N,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide.

Molecular Properties

Compound NameN,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide
PubChem CID71758103
Molecular FormulaC4H9IN4
Molecular Weight240.05 g/mol
Exact Mass239.99
IUPAC NameN,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide
SMILESCNc1nncn1C.I
InChIInChI=1S/C4H8N4.HI/c1-5-4-7-6-3-8(4)2;/h3H,1-2H3,(H,5,7);1H
InChIKeyUXSIASBIXMBFGH-UHFFFAOYSA-N
XLogP0.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.05
LogP ≤ 50.47
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 N,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide?
The IUPAC name of N,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide (CID 71758103) is N,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide.
What is the SMILES notation for N,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide?
The canonical SMILES for N,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide is CNc1nncn1C.I.
What is the InChIKey of N,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide?
The InChIKey is UXSIASBIXMBFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.HI/c1-5-4-7-6-3-8(4)2;/h3H,1-2H3,(H,5,7);1H.
What are the key properties of N,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide?
N,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide has a molecular weight of 240.05 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1,2,4-triazol-3-amine;hydroiodide is sourced from PubChem (CID 71758103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).