1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium

C5H6N3S+ — CID 67843224

IUPAC1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium
SMILESC[n+]1cnc2sccn21
InChIInChI=1S/C5H6N3S/c1-7-4-6-5-8(7)2-3-9-5/h2-4H,1H3/q+1
InChIKeyFINUVUAMTHZUFJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.22
Rot. Bonds

About 1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium

1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium (PubChem CID 67843224) has the molecular formula C5H6N3S+ and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium.

Molecular Properties

Compound Name1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium
PubChem CID67843224
Molecular FormulaC5H6N3S+
Molecular Weight140.19 g/mol
Exact Mass140.03
IUPAC Name1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium
SMILESC[n+]1cnc2sccn21
InChIInChI=1S/C5H6N3S/c1-7-4-6-5-8(7)2-3-9-5/h2-4H,1H3/q+1
InChIKeyFINUVUAMTHZUFJ-UHFFFAOYSA-N
XLogP0.22
TPSA21.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thiazolo[3,2-b][1,2,4]triazole
CID 13755997
[1,2,3,4]Tetrazolo[5,1-B][1,3]thiazole
CID 21780996
(1,2,4)Triazolo(3,4-b)(1,3)thiazol-3-amine
CID 82467760
Thiazolo[2,3-c]-1,2,4-triazole
CID 13755998
2-(Trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 69032394
2-Methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 14929653
2-(1,5-Dimethyltetrazol-1-ium-2-yl)-1,3-thiazole
CID 21999797
3,5-Diamino-1-thiazol-2-yl-1,2,4-triazole
CID 82879743
Phosphoryl-2-methyl-3h-thiazolo[3,2-b][1,2,4]triazol-7-ium chloride
CID 129759678
Thiazolo[3,2-b]-1,2,4-triazolium chloride
CID 129766434
Thiazol-2-yl-2,5-dimethyl tetrazolium bromide
CID 129821037
Thiazolo[2,3-e][1,2,4,3]triazaphosphole
CID 129860303

Frequently Asked Questions

What is the IUPAC name of 1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium?
The IUPAC name of 1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium (CID 67843224) is 1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium.
What is the SMILES notation for 1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium?
The canonical SMILES for 1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium is C[n+]1cnc2sccn21.
What is the InChIKey of 1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium?
The InChIKey is FINUVUAMTHZUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N3S/c1-7-4-6-5-8(7)2-3-9-5/h2-4H,1H3/q+1.
What are the key properties of 1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium?
1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium has a molecular weight of 140.19 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium is sourced from PubChem (CID 67843224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).