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

C7H9N3 — CID 145001585

IUPAC3,4-bis(ethenyl)-5-methyl-1,2,4-triazole
SMILESC=Cc1nnc(C)n1C=C
InChIInChI=1S/C7H9N3/c1-4-7-9-8-6(3)10(7)5-2/h4-5H,1-2H2,3H3
InChIKeyKXLHDBGFXQDYNA-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.33
Rot. Bonds2

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

3,4-bis(ethenyl)-5-methyl-1,2,4-triazole (PubChem CID 145001585) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3,4-bis(ethenyl)-5-methyl-1,2,4-triazole
PubChem CID145001585
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name3,4-bis(ethenyl)-5-methyl-1,2,4-triazole
SMILESC=Cc1nnc(C)n1C=C
InChIInChI=1S/C7H9N3/c1-4-7-9-8-6(3)10(7)5-2/h4-5H,1-2H2,3H3
InChIKeyKXLHDBGFXQDYNA-UHFFFAOYSA-N
XLogP1.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.33
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
4-[(E)-2-bromoethenyl]-3-ethenyl-5-(trifluoromethyl)-1,2,4-triazole;ethane
CID 144130348
4-[(E)-2-bromoethenyl]-3-ethenyl-5-(trifluoromethyl)-1,2,4-triazole
CID 144130349
3-methyl-7H-pyrrolo[2,1-c][1,2,4]triazole
CID 20722811
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
3-Methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59299764
6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 68709462
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89033284
3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89233363
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole?
The IUPAC name of 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole (CID 145001585) is 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole.
What is the SMILES notation for 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole?
The canonical SMILES for 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole is C=Cc1nnc(C)n1C=C.
What is the InChIKey of 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole?
The InChIKey is KXLHDBGFXQDYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-4-7-9-8-6(3)10(7)5-2/h4-5H,1-2H2,3H3.
What are the key properties of 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole?
3,4-bis(ethenyl)-5-methyl-1,2,4-triazole has a molecular weight of 135.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole is sourced from PubChem (CID 145001585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).