6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C11H12FN3 — CID 123332773

IUPAC6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=CC1=C(C(=C)F)n2c(C)nnc2CC1
InChIInChI=1S/C11H12FN3/c1-4-9-5-6-10-14-13-8(3)15(10)11(9)7(2)12/h4H,1-2,5-6H2,3H3
InChIKeyALMZQYLTDNLDIY-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.41
Rot. Bonds2

About 6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 123332773) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID123332773
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=CC1=C(C(=C)F)n2c(C)nnc2CC1
InChIInChI=1S/C11H12FN3/c1-4-9-5-6-10-14-13-8(3)15(10)11(9)7(2)12/h4H,1-2,5-6H2,3H3
InChIKeyALMZQYLTDNLDIY-UHFFFAOYSA-N
XLogP2.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-Fluoroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123363488
5-(1-Fluoroethyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123853050
5-(Fluoromethyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123905242
13-fluoro-3-methyl-12-(5-methyl-6-prop-1-ynyl-3H-azepin-4-yl)-2,4,5-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,10,11,13-hexaene
CID 144467226
4-(2,6-Dimethylcyclohexa-1,5-dien-1-yl)-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole
CID 164090840
3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
CID 58517831
(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-[1,2,4]triazolo[1,5-a]pyridine
CID 60042571
5,6-Bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123240038
5-Ethyl-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123297633
5-(1-Chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123374902
5-(1-Chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123649447
5-Ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123819444

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 123332773) is 6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is C=CC1=C(C(=C)F)n2c(C)nnc2CC1.
What is the InChIKey of 6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ALMZQYLTDNLDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-4-9-5-6-10-14-13-8(3)15(10)11(9)7(2)12/h4H,1-2,5-6H2,3H3.
What are the key properties of 6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 205.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 123332773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).