4,5-diethyl-1,5-dihydro-1,2,4-triazole

C6H13N3 — CID 69382786

IUPAC4,5-diethyl-1,5-dihydro-1,2,4-triazole
SMILESCCC1NN=CN1CC
InChIInChI=1S/C6H13N3/c1-3-6-8-7-5-9(6)4-2/h5-6,8H,3-4H2,1-2H3
InChIKeyOZZPBXDFMAMTKK-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.59
Rot. Bonds2

About 4,5-diethyl-1,5-dihydro-1,2,4-triazole

4,5-diethyl-1,5-dihydro-1,2,4-triazole (PubChem CID 69382786) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 4,5-diethyl-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name4,5-diethyl-1,5-dihydro-1,2,4-triazole
PubChem CID69382786
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name4,5-diethyl-1,5-dihydro-1,2,4-triazole
SMILESCCC1NN=CN1CC
InChIInChI=1S/C6H13N3/c1-3-6-8-7-5-9(6)4-2/h5-6,8H,3-4H2,1-2H3
InChIKeyOZZPBXDFMAMTKK-UHFFFAOYSA-N
XLogP0.59
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 4,5-diethyl-1,5-dihydro-1,2,4-triazole (CID 69382786) is 4,5-diethyl-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 4,5-diethyl-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 4,5-diethyl-1,5-dihydro-1,2,4-triazole is CCC1NN=CN1CC.
What is the InChIKey of 4,5-diethyl-1,5-dihydro-1,2,4-triazole?
The InChIKey is OZZPBXDFMAMTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-6-8-7-5-9(6)4-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-1,5-dihydro-1,2,4-triazole?
4,5-diethyl-1,5-dihydro-1,2,4-triazole has a molecular weight of 127.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 69382786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).