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

C6H11N3 — CID 22903109

IUPAC3-ethenyl-1,4-dimethyl-2H-triazole
SMILESC=CN1NN(C)C=C1C
InChIInChI=1S/C6H11N3/c1-4-9-6(2)5-8(3)7-9/h4-5,7H,1H2,2-3H3
InChIKeyWHCYRKCHVUYFFN-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.66
Rot. Bonds1

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

3-ethenyl-1,4-dimethyl-2H-triazole (PubChem CID 22903109) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-ethenyl-1,4-dimethyl-2H-triazole.

Molecular Properties

Compound Name3-ethenyl-1,4-dimethyl-2H-triazole
PubChem CID22903109
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-ethenyl-1,4-dimethyl-2H-triazole
SMILESC=CN1NN(C)C=C1C
InChIInChI=1S/C6H11N3/c1-4-9-6(2)5-8(3)7-9/h4-5,7H,1H2,2-3H3
InChIKeyWHCYRKCHVUYFFN-UHFFFAOYSA-N
XLogP0.66
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,4-dimethyl-2H-triazole?
The IUPAC name of 3-ethenyl-1,4-dimethyl-2H-triazole (CID 22903109) is 3-ethenyl-1,4-dimethyl-2H-triazole.
What is the SMILES notation for 3-ethenyl-1,4-dimethyl-2H-triazole?
The canonical SMILES for 3-ethenyl-1,4-dimethyl-2H-triazole is C=CN1NN(C)C=C1C.
What is the InChIKey of 3-ethenyl-1,4-dimethyl-2H-triazole?
The InChIKey is WHCYRKCHVUYFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-9-6(2)5-8(3)7-9/h4-5,7H,1H2,2-3H3.
What are the key properties of 3-ethenyl-1,4-dimethyl-2H-triazole?
3-ethenyl-1,4-dimethyl-2H-triazole has a molecular weight of 125.17 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,4-dimethyl-2H-triazole is sourced from PubChem (CID 22903109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).