3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C14H16FN3 — CID 117151577

IUPAC3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCn2c(Cc3cccc(F)c3)nnc2C1
InChIInChI=1S/C14H16FN3/c1-10-5-6-18-13(7-10)16-17-14(18)9-11-3-2-4-12(15)8-11/h2-4,8,10H,5-7,9H2,1H3
InChIKeyPOWGXYHJRJSBGO-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.59
Rot. Bonds2

About 3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117151577) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117151577
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCn2c(Cc3cccc(F)c3)nnc2C1
InChIInChI=1S/C14H16FN3/c1-10-5-6-18-13(7-10)16-17-14(18)9-11-3-2-4-12(15)8-11/h2-4,8,10H,5-7,9H2,1H3
InChIKeyPOWGXYHJRJSBGO-UHFFFAOYSA-N
XLogP2.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine 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

7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151565
7-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151554
3-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 170911969
3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151561
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
CID 78990700
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine
CID 81251479
7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CID 83866335
1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine
CID 146164632
[3-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392285
(7S)-2-(3-fluorophenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462538
7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151442
3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117138056

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117151577) is 3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CCn2c(Cc3cccc(F)c3)nnc2C1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is POWGXYHJRJSBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-5-6-18-13(7-10)16-17-14(18)9-11-3-2-4-12(15)8-11/h2-4,8,10H,5-7,9H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 245.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117151577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).