5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole

C9H13FN4 — CID 141381952

IUPAC5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole
SMILESC=Cc1nc(N2CCC(F)C2)nn1C
InChIInChI=1S/C9H13FN4/c1-3-8-11-9(12-13(8)2)14-5-4-7(10)6-14/h3,7H,1,4-6H2,2H3
InChIKeyQLWYYLHEOUCYMM-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.01
Rot. Bonds2

About 5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole

5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole (PubChem CID 141381952) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole
PubChem CID141381952
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole
SMILESC=Cc1nc(N2CCC(F)C2)nn1C
InChIInChI=1S/C9H13FN4/c1-3-8-11-9(12-13(8)2)14-5-4-7(10)6-14/h3,7H,1,4-6H2,2H3
InChIKeyQLWYYLHEOUCYMM-UHFFFAOYSA-N
XLogP1.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole 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

5-(2-methyl-prop enyl)-3-pyrrolidin-1-yl-1-(2,2,2-trifluoro-ethyl)-1H-[1,2,4]triazole
CID 90016776
1-(2,2-Difluoroethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole
CID 90016966
5-(2-Methylprop-1-enyl)-3-pyrrolidin-1-yl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 123408888
3-(3,3-Difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
CID 141381924
3-(3,3-Difluoropyrrolidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
CID 141381936
1-(2,2-Difluoroethyl)-5-ethenyl-3-pyrrolidin-1-yl-1,2,4-triazole
CID 141381938
1-Methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole
CID 141419524
1-Methyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole;1,1,1-trifluoroethane
CID 145675773
5-Ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 171723580
1-Methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole
CID 90017042
1-(Cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole
CID 90017322
1-(Cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole
CID 90017359

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole?
The IUPAC name of 5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole (CID 141381952) is 5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole is C=Cc1nc(N2CCC(F)C2)nn1C.
What is the InChIKey of 5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole?
The InChIKey is QLWYYLHEOUCYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c1-3-8-11-9(12-13(8)2)14-5-4-7(10)6-14/h3,7H,1,4-6H2,2H3.
What are the key properties of 5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole?
5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole has a molecular weight of 196.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 141381952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).