6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole

C10H14N4 — CID 59289902

IUPAC6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole
SMILESC=c1c(C(C)(C)C)nn2nc(C)nc12
InChIInChI=1S/C10H14N4/c1-6-8(10(3,4)5)13-14-9(6)11-7(2)12-14/h1H2,2-5H3
InChIKeyDJQVQUWSESCMDS-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.86
Rot. Bonds

About 6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole

6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole (PubChem CID 59289902) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole
PubChem CID59289902
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole
SMILESC=c1c(C(C)(C)C)nn2nc(C)nc12
InChIInChI=1S/C10H14N4/c1-6-8(10(3,4)5)13-14-9(6)11-7(2)12-14/h1H2,2-5H3
InChIKeyDJQVQUWSESCMDS-UHFFFAOYSA-N
XLogP0.86
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole (CID 59289902) is 6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole is C=c1c(C(C)(C)C)nn2nc(C)nc12.
What is the InChIKey of 6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is DJQVQUWSESCMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-6-8(10(3,4)5)13-14-9(6)11-7(2)12-14/h1H2,2-5H3.
What are the key properties of 6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole?
6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 190.25 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 59289902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).