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

C9H14N4 — CID 141381948

IUPAC5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole
SMILESC=Cc1nc(N2CC(C)C2)nn1C
InChIInChI=1S/C9H14N4/c1-4-8-10-9(11-12(8)3)13-5-7(2)6-13/h4,7H,1,5-6H2,2-3H3
InChIKeyASWBNHLDLXHBSW-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.91
Rot. Bonds2

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

5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole (PubChem CID 141381948) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole
PubChem CID141381948
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole
SMILESC=Cc1nc(N2CC(C)C2)nn1C
InChIInChI=1S/C9H14N4/c1-4-8-10-9(11-12(8)3)13-5-7(2)6-13/h4,7H,1,5-6H2,2-3H3
InChIKeyASWBNHLDLXHBSW-UHFFFAOYSA-N
XLogP0.91
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.91
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
dimethyl-[1-methyl-5-(2-methyl-propenyl)-1H-[1,2,4]triazol-3-yl]-amine
CID 90025102
3-Ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole
CID 141381939
3-(Azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
CID 141381941
5-Ethenyl-1-methyl-3-pyrrolidin-1-yl-1,2,4-triazole
CID 141381958
(NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide
CID 156748802
1,5-Bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane
CID 165134545
5-Ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole
CID 171723346
5-Ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole
CID 171723414
3-Ethenyl-5-methyl-1-propan-2-yl-1,2,4-triazole
CID 171723462
1,5-Bis(ethenyl)-3-propan-2-yl-1,2,4-triazole
CID 165134546
5-Cyclopropyl-3-ethenyl-1-methyl-1,2,4-triazole
CID 171541880

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole?
The IUPAC name of 5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole (CID 141381948) is 5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole is C=Cc1nc(N2CC(C)C2)nn1C.
What is the InChIKey of 5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole?
The InChIKey is ASWBNHLDLXHBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-8-10-9(11-12(8)3)13-5-7(2)6-13/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole?
5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole has a molecular weight of 178.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole is sourced from PubChem (CID 141381948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).