3-ethyl-5-methyl-1H-1,2,4-triazole

C5H9N3 — CID 18714263

IUPAC3-ethyl-5-methyl-1H-1,2,4-triazole
SMILESCCc1n[nH]c(C)n1
InChIInChI=1S/C5H9N3/c1-3-5-6-4(2)7-8-5/h3H2,1-2H3,(H,6,7,8)
InChIKeyGTLYEWOHOZSGGN-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.68
Rot. Bonds1

About 3-ethyl-5-methyl-1H-1,2,4-triazole

3-ethyl-5-methyl-1H-1,2,4-triazole (PubChem CID 18714263) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-5-methyl-1H-1,2,4-triazole
PubChem CID18714263
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name3-ethyl-5-methyl-1H-1,2,4-triazole
SMILESCCc1n[nH]c(C)n1
InChIInChI=1S/C5H9N3/c1-3-5-6-4(2)7-8-5/h3H2,1-2H3,(H,6,7,8)
InChIKeyGTLYEWOHOZSGGN-UHFFFAOYSA-N
XLogP0.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-ethyl-5-methyl-1H-1,2,4-triazole (CID 18714263) is 3-ethyl-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-ethyl-5-methyl-1H-1,2,4-triazole is CCc1n[nH]c(C)n1.
What is the InChIKey of 3-ethyl-5-methyl-1H-1,2,4-triazole?
The InChIKey is GTLYEWOHOZSGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-5-6-4(2)7-8-5/h3H2,1-2H3,(H,6,7,8).
What are the key properties of 3-ethyl-5-methyl-1H-1,2,4-triazole?
3-ethyl-5-methyl-1H-1,2,4-triazole has a molecular weight of 111.15 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 18714263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).