2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole

C8H12N4 — CID 22114380

IUPAC2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole
SMILESCc1nc2ncc(C(C)C)n2[nH]1
InChIInChI=1S/C8H12N4/c1-5(2)7-4-9-8-10-6(3)11-12(7)8/h4-5H,1-3H3,(H,9,10,11)
InChIKeyPTMJAJFSQQNYDF-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.49
Rot. Bonds1

About 2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole

2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole (PubChem CID 22114380) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole
PubChem CID22114380
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole
SMILESCc1nc2ncc(C(C)C)n2[nH]1
InChIInChI=1S/C8H12N4/c1-5(2)7-4-9-8-10-6(3)11-12(7)8/h4-5H,1-3H3,(H,9,10,11)
InChIKeyPTMJAJFSQQNYDF-UHFFFAOYSA-N
XLogP1.49
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole?
The IUPAC name of 2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole (CID 22114380) is 2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole is Cc1nc2ncc(C(C)C)n2[nH]1.
What is the InChIKey of 2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole?
The InChIKey is PTMJAJFSQQNYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5(2)7-4-9-8-10-6(3)11-12(7)8/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole?
2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole has a molecular weight of 164.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 22114380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).