1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide

C10H14IN3 — CID 154879321

IUPAC1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide
SMILESCC1=NN(C)c2cccc(C)[n+]2C1.[I-]
InChIInChI=1S/C10H14N3.HI/c1-8-7-13-9(2)5-4-6-10(13)12(3)11-8;/h4-6H,7H2,1-3H3;1H/q+1;/p-1
InChIKeyIGYTWUOEDFACSG-UHFFFAOYSA-M
MW303.15 g/mol
LogP-1.89
Rot. Bonds

About 1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide

1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide (PubChem CID 154879321) has the molecular formula C10H14IN3 and a molecular weight of 303.15 g/mol. Its IUPAC name is 1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide.

Molecular Properties

Compound Name1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide
PubChem CID154879321
Molecular FormulaC10H14IN3
Molecular Weight303.15 g/mol
Exact Mass303.02
IUPAC Name1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide
SMILESCC1=NN(C)c2cccc(C)[n+]2C1.[I-]
InChIInChI=1S/C10H14N3.HI/c1-8-7-13-9(2)5-4-6-10(13)12(3)11-8;/h4-6H,7H2,1-3H3;1H/q+1;/p-1
InChIKeyIGYTWUOEDFACSG-UHFFFAOYSA-M
XLogP-1.89
TPSA19.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 5-1.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide?
The IUPAC name of 1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide (CID 154879321) is 1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide.
What is the SMILES notation for 1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide?
The canonical SMILES for 1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide is CC1=NN(C)c2cccc(C)[n+]2C1.[I-].
What is the InChIKey of 1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide?
The InChIKey is IGYTWUOEDFACSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14N3.HI/c1-8-7-13-9(2)5-4-6-10(13)12(3)11-8;/h4-6H,7H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide?
1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide has a molecular weight of 303.15 g/mol, XLogP of -1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide is sourced from PubChem (CID 154879321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).