5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline

C13H16N4 — CID 659972

IUPAC5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline
SMILESCc1cc2c(cc1C)-c1nnnn1C(C)(C)C2
InChIInChI=1S/C13H16N4/c1-8-5-10-7-13(3,4)17-12(14-15-16-17)11(10)6-9(8)2/h5-6H,7H2,1-4H3
InChIKeyYDJJMCJGWZVWJF-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.25
Rot. Bonds

About 5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline

5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline (PubChem CID 659972) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline
PubChem CID659972
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline
SMILESCc1cc2c(cc1C)-c1nnnn1C(C)(C)C2
InChIInChI=1S/C13H16N4/c1-8-5-10-7-13(3,4)17-12(14-15-16-17)11(10)6-9(8)2/h5-6H,7H2,1-4H3
InChIKeyYDJJMCJGWZVWJF-UHFFFAOYSA-N
XLogP2.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline?
The IUPAC name of 5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline (CID 659972) is 5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline is Cc1cc2c(cc1C)-c1nnnn1C(C)(C)C2.
What is the InChIKey of 5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline?
The InChIKey is YDJJMCJGWZVWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-5-10-7-13(3,4)17-12(14-15-16-17)11(10)6-9(8)2/h5-6H,7H2,1-4H3.
What are the key properties of 5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline?
5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline has a molecular weight of 228.30 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,9-tetramethyl-6H-tetrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 659972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).