3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium

C6H9N4O+ — CID 163131247

IUPAC3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium
SMILESCN1N[NH+](O)c2ncccc21
InChIInChI=1S/C6H8N4O/c1-9-5-3-2-4-7-6(5)10(11)8-9/h2-4,8,11H,1H3/p+1
InChIKeyGFZXPASAADPREN-UHFFFAOYSA-O
MW153.16 g/mol
LogP-1.14
Rot. Bonds

About 3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium

3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium (PubChem CID 163131247) has the molecular formula C6H9N4O+ and a molecular weight of 153.16 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium
PubChem CID163131247
Molecular FormulaC6H9N4O+
Molecular Weight153.16 g/mol
Exact Mass153.08
IUPAC Name3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium
SMILESCN1N[NH+](O)c2ncccc21
InChIInChI=1S/C6H8N4O/c1-9-5-3-2-4-7-6(5)10(11)8-9/h2-4,8,11H,1H3/p+1
InChIKeyGFZXPASAADPREN-UHFFFAOYSA-O
XLogP-1.14
TPSA52.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,9-dimethyl-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-amine
CID 23291326
methanimine;(1-methyl-2H-pyrido[2,3-b]pyrazin-3-yl)methanol
CID 143618555
3-(aziridin-1-yl)-2-methylpyridine
CID 54398386
7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one
CID 118928705
2-chloropyridin-3-ol;ethane
CID 144796414
2-chloro-3-(4-methylphenyl)pyridine
CID 82076857
1-sulfido-1H-pyrrolo[2,3-b]pyridin-1-ium
CID 175004095
2,3-di(pyrazol-1-yl)pyridine
CID 91358877
1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine
CID 71375396
1,2,3-tri(propan-2-yl)pyrido[2,3-b][1,4]oxazine
CID 90075922
1-phenyl-2,3-dihydroimidazo[4,5-b]pyridine
CID 139666855
2-methylselanylpyridin-3-ol
CID 87652336

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium?
The IUPAC name of 3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium (CID 163131247) is 3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium.
What is the SMILES notation for 3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium?
The canonical SMILES for 3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium is CN1N[NH+](O)c2ncccc21.
What is the InChIKey of 3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium?
The InChIKey is GFZXPASAADPREN-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N4O/c1-9-5-3-2-4-7-6(5)10(11)8-9/h2-4,8,11H,1H3/p+1.
What are the key properties of 3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium?
3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium has a molecular weight of 153.16 g/mol, XLogP of -1.14, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2,3-dihydrotriazolo[4,5-b]pyridin-3-ium is sourced from PubChem (CID 163131247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).