4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole

C9H19N3 — CID 69381392

IUPAC4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole
SMILESCC(C)C1NN=CN1C(C)(C)C
InChIInChI=1S/C9H19N3/c1-7(2)8-11-10-6-12(8)9(3,4)5/h6-8,11H,1-5H3
InChIKeyRGHDKRASANYKOH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.62
Rot. Bonds1

About 4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole

4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole (PubChem CID 69381392) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole
PubChem CID69381392
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole
SMILESCC(C)C1NN=CN1C(C)(C)C
InChIInChI=1S/C9H19N3/c1-7(2)8-11-10-6-12(8)9(3,4)5/h6-8,11H,1-5H3
InChIKeyRGHDKRASANYKOH-UHFFFAOYSA-N
XLogP1.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.62
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-propan-2-yl-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole (CID 69381392) is 4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole is CC(C)C1NN=CN1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole?
The InChIKey is RGHDKRASANYKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)8-11-10-6-12(8)9(3,4)5/h6-8,11H,1-5H3.
What are the key properties of 4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole?
4-tert-butyl-5-propan-2-yl-1,5-dihydro-1,2,4-triazole has a molecular weight of 169.27 g/mol, XLogP of 1.62, 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-propan-2-yl-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 69381392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).