5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline

C11H12N4 — CID 684139

IUPAC5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline
SMILESCC1(C)Cc2ccccc2-c2nnnn21
InChIInChI=1S/C11H12N4/c1-11(2)7-8-5-3-4-6-9(8)10-12-13-14-15(10)11/h3-6H,7H2,1-2H3
InChIKeyFQPUINDENAEALQ-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.63
Rot. Bonds

About 5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline

5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline (PubChem CID 684139) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline
PubChem CID684139
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline
SMILESCC1(C)Cc2ccccc2-c2nnnn21
InChIInChI=1S/C11H12N4/c1-11(2)7-8-5-3-4-6-9(8)10-12-13-14-15(10)11/h3-6H,7H2,1-2H3
InChIKeyFQPUINDENAEALQ-UHFFFAOYSA-N
XLogP1.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline?
The IUPAC name of 5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline (CID 684139) is 5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline is CC1(C)Cc2ccccc2-c2nnnn21.
What is the InChIKey of 5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline?
The InChIKey is FQPUINDENAEALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-11(2)7-8-5-3-4-6-9(8)10-12-13-14-15(10)11/h3-6H,7H2,1-2H3.
What are the key properties of 5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline?
5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline has a molecular weight of 200.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6H-tetrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 684139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).