4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole

C8H17N3 — CID 69381779

IUPAC4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole
SMILESCCC1NN=CN1C(C)(C)C
InChIInChI=1S/C8H17N3/c1-5-7-10-9-6-11(7)8(2,3)4/h6-7,10H,5H2,1-4H3
InChIKeyRDMPWDBVMFULMX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.37
Rot. Bonds1

About 4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole

4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole (PubChem CID 69381779) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole
PubChem CID69381779
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole
SMILESCCC1NN=CN1C(C)(C)C
InChIInChI=1S/C8H17N3/c1-5-7-10-9-6-11(7)8(2,3)4/h6-7,10H,5H2,1-4H3
InChIKeyRDMPWDBVMFULMX-UHFFFAOYSA-N
XLogP1.37
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole (CID 69381779) is 4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole is CCC1NN=CN1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole?
The InChIKey is RDMPWDBVMFULMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-7-10-9-6-11(7)8(2,3)4/h6-7,10H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole?
4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole has a molecular weight of 155.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-ethyl-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 69381779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).