6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C16H18FN3 — CID 143183403

IUPAC6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)C1NN=C2C=CC(Cc3ccccc3F)=CN21
InChIInChI=1S/C16H18FN3/c1-11(2)16-19-18-15-8-7-12(10-20(15)16)9-13-5-3-4-6-14(13)17/h3-8,10-11,16,19H,9H2,1-2H3
InChIKeyNBPSFQGICILAHY-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.02
Rot. Bonds3

About 6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine

6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 143183403) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID143183403
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)C1NN=C2C=CC(Cc3ccccc3F)=CN21
InChIInChI=1S/C16H18FN3/c1-11(2)16-19-18-15-8-7-12(10-20(15)16)9-13-5-3-4-6-14(13)17/h3-8,10-11,16,19H,9H2,1-2H3
InChIKeyNBPSFQGICILAHY-UHFFFAOYSA-N
XLogP3.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
1-[4-(2-fluorophenyl)butan-2-yl]piperazine
CID 82044268
1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone
CID 30980260
1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164268
1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine
CID 114832318
4-(2-fluorophenyl)butan-2-ol
CID 12618518
2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 62192800
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404978
1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
CID 114832275
1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816
4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine
CID 117106734

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 143183403) is 6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)C1NN=C2C=CC(Cc3ccccc3F)=CN21.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NBPSFQGICILAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-11(2)16-19-18-15-8-7-12(10-20(15)16)9-13-5-3-4-6-14(13)17/h3-8,10-11,16,19H,9H2,1-2H3.
What are the key properties of 6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 271.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 143183403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).