3,5-diethyl-1H-1,2,4-triazole

C6H11N3 — CID 15520387

IUPAC3,5-diethyl-1H-1,2,4-triazole
SMILESCCc1n[nH]c(CC)n1
InChIInChI=1S/C6H11N3/c1-3-5-7-6(4-2)9-8-5/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyUGERGYDWQOPISO-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.93
Rot. Bonds2

About 3,5-diethyl-1H-1,2,4-triazole

3,5-diethyl-1H-1,2,4-triazole (PubChem CID 15520387) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3,5-diethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-diethyl-1H-1,2,4-triazole
PubChem CID15520387
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3,5-diethyl-1H-1,2,4-triazole
SMILESCCc1n[nH]c(CC)n1
InChIInChI=1S/C6H11N3/c1-3-5-7-6(4-2)9-8-5/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyUGERGYDWQOPISO-UHFFFAOYSA-N
XLogP0.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1H-1,2,4-triazole?
The IUPAC name of 3,5-diethyl-1H-1,2,4-triazole (CID 15520387) is 3,5-diethyl-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-diethyl-1H-1,2,4-triazole?
The canonical SMILES for 3,5-diethyl-1H-1,2,4-triazole is CCc1n[nH]c(CC)n1.
What is the InChIKey of 3,5-diethyl-1H-1,2,4-triazole?
The InChIKey is UGERGYDWQOPISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-5-7-6(4-2)9-8-5/h3-4H2,1-2H3,(H,7,8,9).
What are the key properties of 3,5-diethyl-1H-1,2,4-triazole?
3,5-diethyl-1H-1,2,4-triazole has a molecular weight of 125.17 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1H-1,2,4-triazole is sourced from PubChem (CID 15520387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).