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

C6H11N3 — CID 13010288

IUPAC1-ethyl-3,5-dimethyl-1,2,4-triazole
SMILESCCn1nc(C)nc1C
InChIInChI=1S/C6H11N3/c1-4-9-6(3)7-5(2)8-9/h4H2,1-3H3
InChIKeyCMRISFJSJWJHPL-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.91
Rot. Bonds1

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

1-ethyl-3,5-dimethyl-1,2,4-triazole (PubChem CID 13010288) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-1,2,4-triazole
PubChem CID13010288
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-ethyl-3,5-dimethyl-1,2,4-triazole
SMILESCCn1nc(C)nc1C
InChIInChI=1S/C6H11N3/c1-4-9-6(3)7-5(2)8-9/h4H2,1-3H3
InChIKeyCMRISFJSJWJHPL-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-1,2,4-triazole?
The IUPAC name of 1-ethyl-3,5-dimethyl-1,2,4-triazole (CID 13010288) is 1-ethyl-3,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 1-ethyl-3,5-dimethyl-1,2,4-triazole is CCn1nc(C)nc1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-1,2,4-triazole?
The InChIKey is CMRISFJSJWJHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-9-6(3)7-5(2)8-9/h4H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyl-1,2,4-triazole?
1-ethyl-3,5-dimethyl-1,2,4-triazole has a molecular weight of 125.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 13010288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).