5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine

C14H17FN4O2 — CID 167892540

IUPAC5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine
SMILESCc1cc(-c2cn(CC3COC(C)(C)O3)nn2)cnc1F
InChIInChI=1S/C14H17FN4O2/c1-9-4-10(5-16-13(9)15)12-7-19(18-17-12)6-11-8-20-14(2,3)21-11/h4-5,7,11H,6,8H2,1-3H3
InChIKeyGGTKUSKRHYMOGC-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.94
Rot. Bonds3

About 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine

5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine (PubChem CID 167892540) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine.

Molecular Properties

Compound Name5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine
PubChem CID167892540
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine
SMILESCc1cc(-c2cn(CC3COC(C)(C)O3)nn2)cnc1F
InChIInChI=1S/C14H17FN4O2/c1-9-4-10(5-16-13(9)15)12-7-19(18-17-12)6-11-8-20-14(2,3)21-11/h4-5,7,11H,6,8H2,1-3H3
InChIKeyGGTKUSKRHYMOGC-UHFFFAOYSA-N
XLogP1.94
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-chloro-2-methylphenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazole
CID 166365123
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-(4-nitrophenyl)triazole
CID 134146012
5-[1-[(4,4-difluorooxolan-2-yl)methyl]triazol-4-yl]-2-methylpyrimidine
CID 166400278
3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)triazol-4-yl]-2-fluoro-5-methylpyridine
CID 167909354
2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole
CID 82562364
5-(2-cyclopropylethynyl)-2-[1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]triazol-4-yl]-3-methylpyridine
CID 164858354
4-bromo-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(trifluoromethyl)pyrazole
CID 76809256
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole
CID 123944453
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
CID 3009122
4-bromo-1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]imidazole
CID 118167944
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-4-yl]pyridin-2-amine
CID 58608421
4-bromo-1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)pyrazole;4-bromo-1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-(trifluoromethyl)pyrazole
CID 160827165

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine?
The IUPAC name of 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine (CID 167892540) is 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine.
What is the SMILES notation for 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine?
The canonical SMILES for 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine is Cc1cc(-c2cn(CC3COC(C)(C)O3)nn2)cnc1F.
What is the InChIKey of 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine?
The InChIKey is GGTKUSKRHYMOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-9-4-10(5-16-13(9)15)12-7-19(18-17-12)6-11-8-20-14(2,3)21-11/h4-5,7,11H,6,8H2,1-3H3.
What are the key properties of 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine?
5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine has a molecular weight of 292.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine is sourced from PubChem (CID 167892540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).