3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole

C8H12N4 — CID 59825848

IUPAC3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole
SMILESCC(C)(C)c1nnc2n1CC=N2
InChIInChI=1S/C8H12N4/c1-8(2,3)6-10-11-7-9-4-5-12(6)7/h4H,5H2,1-3H3
InChIKeyUWRAAJVIMWTTSG-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.29
Rot. Bonds

About 3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole

3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole (PubChem CID 59825848) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole
PubChem CID59825848
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole
SMILESCC(C)(C)c1nnc2n1CC=N2
InChIInChI=1S/C8H12N4/c1-8(2,3)6-10-11-7-9-4-5-12(6)7/h4H,5H2,1-3H3
InChIKeyUWRAAJVIMWTTSG-UHFFFAOYSA-N
XLogP1.29
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole (CID 59825848) is 3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole is CC(C)(C)c1nnc2n1CC=N2.
What is the InChIKey of 3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole?
The InChIKey is UWRAAJVIMWTTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-8(2,3)6-10-11-7-9-4-5-12(6)7/h4H,5H2,1-3H3.
What are the key properties of 3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole?
3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole has a molecular weight of 164.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5H-imidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 59825848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).