5-ethenyl-1,3-dimethyl-1,2,4-triazole

C6H9N3 — CID 143191750

IUPAC5-ethenyl-1,3-dimethyl-1,2,4-triazole
SMILESC=Cc1nc(C)nn1C
InChIInChI=1S/C6H9N3/c1-4-6-7-5(2)8-9(6)3/h4H,1H2,2-3H3
InChIKeyXQTVLBPNXWKENT-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.77
Rot. Bonds1

About 5-ethenyl-1,3-dimethyl-1,2,4-triazole

5-ethenyl-1,3-dimethyl-1,2,4-triazole (PubChem CID 143191750) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-ethenyl-1,3-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-1,3-dimethyl-1,2,4-triazole
PubChem CID143191750
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-ethenyl-1,3-dimethyl-1,2,4-triazole
SMILESC=Cc1nc(C)nn1C
InChIInChI=1S/C6H9N3/c1-4-6-7-5(2)8-9(6)3/h4H,1H2,2-3H3
InChIKeyXQTVLBPNXWKENT-UHFFFAOYSA-N
XLogP0.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethenyl-3,5-dimethyl-1H-1,2,4-triazole
CID 15696005
1-Ethyl-3,5-dimethyl-1H-1,2,4-triazole
CID 13010288
5-(Difluoromethyl)-3-ethenyl-1-methyl-1,2,4-triazole
CID 169809302
5-Ethenyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 171542259
5-Ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 171723580
1,5-Dimethyl-4-prop-2-enyl-1,2,4-triazol-4-ium-3-thiolate
CID 14495490
3-(3,5-Dimethyl-1,2,4-triazol-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746356
1-(2-Fluoroprop-2-enyl)-5-methyl-1,2,4-triazole
CID 144028656
3,5-Dimethyl-1-propyl-1,2,4-triazole
CID 12530782
1,3,5-Trimethyl-1H-1,2,4-triazole
CID 13101797
3-Ethyl-1,5-dimethyl-1,2,4-triazole
CID 20791697
5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,3-dimethyl-1,2,4-triazole?
The IUPAC name of 5-ethenyl-1,3-dimethyl-1,2,4-triazole (CID 143191750) is 5-ethenyl-1,3-dimethyl-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-1,3-dimethyl-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-1,3-dimethyl-1,2,4-triazole is C=Cc1nc(C)nn1C.
What is the InChIKey of 5-ethenyl-1,3-dimethyl-1,2,4-triazole?
The InChIKey is XQTVLBPNXWKENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-4-6-7-5(2)8-9(6)3/h4H,1H2,2-3H3.
What are the key properties of 5-ethenyl-1,3-dimethyl-1,2,4-triazole?
5-ethenyl-1,3-dimethyl-1,2,4-triazole has a molecular weight of 123.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,3-dimethyl-1,2,4-triazole is sourced from PubChem (CID 143191750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).