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

C8H12N4 — CID 141381941

IUPAC3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
SMILESC=Cc1nc(N2CCC2)nn1C
InChIInChI=1S/C8H12N4/c1-3-7-9-8(10-11(7)2)12-5-4-6-12/h3H,1,4-6H2,2H3
InChIKeyYAIUEEGRTKESMX-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.67
Rot. Bonds2

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

3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole (PubChem CID 141381941) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
PubChem CID141381941
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
SMILESC=Cc1nc(N2CCC2)nn1C
InChIInChI=1S/C8H12N4/c1-3-7-9-8(10-11(7)2)12-5-4-6-12/h3H,1,4-6H2,2H3
InChIKeyYAIUEEGRTKESMX-UHFFFAOYSA-N
XLogP0.67
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3-Difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
CID 141381924
5-Ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole
CID 141381952
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
dimethyl-[1-methyl-5-(2-methyl-propenyl)-1H-[1,2,4]triazol-3-yl]-amine
CID 90025102
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220
N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine
CID 126658881
3-Ethenyl-1,5-dimethyl-1,2,4-triazole
CID 129222124
N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 130248507
3-Ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole
CID 141381939
5-Ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole
CID 141381948
5-Ethenyl-1-methyl-3-pyrrolidin-1-yl-1,2,4-triazole
CID 141381958
1-(5-Ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine
CID 141381960

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole?
The IUPAC name of 3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole (CID 141381941) is 3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole is C=Cc1nc(N2CCC2)nn1C.
What is the InChIKey of 3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole?
The InChIKey is YAIUEEGRTKESMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-7-9-8(10-11(7)2)12-5-4-6-12/h3H,1,4-6H2,2H3.
What are the key properties of 3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole?
3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole has a molecular weight of 164.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole is sourced from PubChem (CID 141381941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).