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

C6H11N3 — CID 18726711

IUPAC3-ethyl-4,5-dimethyl-1,2,4-triazole
SMILESCCc1nnc(C)n1C
InChIInChI=1S/C6H11N3/c1-4-6-8-7-5(2)9(6)3/h4H2,1-3H3
InChIKeyWFKJEFYZRRUUJD-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.69
Rot. Bonds1

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

3-ethyl-4,5-dimethyl-1,2,4-triazole (PubChem CID 18726711) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-4,5-dimethyl-1,2,4-triazole
PubChem CID18726711
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-ethyl-4,5-dimethyl-1,2,4-triazole
SMILESCCc1nnc(C)n1C
InChIInChI=1S/C6H11N3/c1-4-6-8-7-5(2)9(6)3/h4H2,1-3H3
InChIKeyWFKJEFYZRRUUJD-UHFFFAOYSA-N
XLogP0.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diethyl-4h-1,2,4-triazol-4-amine
CID 221248
3,4-dimethyl-4H-1,2,4-triazole
CID 12217053
3-(chloromethyl)-4,5-dimethyl-4H-1,2,4-triazole
CID 23462358
4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-
CID 143389
3-chloro-4,5-dimethyl-4H-1,2,4-triazole
CID 143390
dimethyl-4H-1,2,4-triazol-3-amine hydroiodide
CID 12252711
4-ethyl-3-methyl-4H-1,2,4-triazole
CID 12278549
5-Ethyl-1-methyl-1H-1,2,4-triazol-3-amine
CID 12523007
4-Methyl-3-(1-methylethyl)-4H-1,2,4-triazole
CID 18338545
3-ethyl-4-methyl-4H-1,2,4-triazole
CID 18726713
3-methyl-4-propyl-4H-1,2,4-triazole
CID 53870217
3-(chloromethyl)-5-ethyl-4-methyl-4H-1,2,4-triazole hydrochloride
CID 54594323

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-ethyl-4,5-dimethyl-1,2,4-triazole (CID 18726711) is 3-ethyl-4,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-4,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-ethyl-4,5-dimethyl-1,2,4-triazole is CCc1nnc(C)n1C.
What is the InChIKey of 3-ethyl-4,5-dimethyl-1,2,4-triazole?
The InChIKey is WFKJEFYZRRUUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-6-8-7-5(2)9(6)3/h4H2,1-3H3.
What are the key properties of 3-ethyl-4,5-dimethyl-1,2,4-triazole?
3-ethyl-4,5-dimethyl-1,2,4-triazole has a molecular weight of 125.17 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 18726711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).