2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole

C9H12N4 — CID 58322124

IUPAC2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole
SMILESCC(C)=c1c(C)nn2nc(C)nc12
InChIInChI=1S/C9H12N4/c1-5(2)8-6(3)11-13-9(8)10-7(4)12-13/h1-4H3
InChIKeyBAQGVWSSHHOHJW-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.65
Rot. Bonds

About 2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole

2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole (PubChem CID 58322124) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole
PubChem CID58322124
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole
SMILESCC(C)=c1c(C)nn2nc(C)nc12
InChIInChI=1S/C9H12N4/c1-5(2)8-6(3)11-13-9(8)10-7(4)12-13/h1-4H3
InChIKeyBAQGVWSSHHOHJW-UHFFFAOYSA-N
XLogP0.65
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole (CID 58322124) is 2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole is CC(C)=c1c(C)nn2nc(C)nc12.
What is the InChIKey of 2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is BAQGVWSSHHOHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-5(2)8-6(3)11-13-9(8)10-7(4)12-13/h1-4H3.
What are the key properties of 2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole?
2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 176.22 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 58322124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).