spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane]

C13H14N4 — CID 659975

IUPACspiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane]
SMILESc1ccc2c(c1)CC1(CCCC1)n1nnnc1-2
InChIInChI=1S/C13H14N4/c1-2-6-11-10(5-1)9-13(7-3-4-8-13)17-12(11)14-15-16-17/h1-2,5-6H,3-4,7-9H2
InChIKeyQNWUNSOOORTWDJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.17
Rot. Bonds

About spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane]

spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane] (PubChem CID 659975) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane].

Molecular Properties

Compound Namespiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane]
PubChem CID659975
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Namespiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane]
SMILESc1ccc2c(c1)CC1(CCCC1)n1nnnc1-2
InChIInChI=1S/C13H14N4/c1-2-6-11-10(5-1)9-13(7-3-4-8-13)17-12(11)14-15-16-17/h1-2,5-6H,3-4,7-9H2
InChIKeyQNWUNSOOORTWDJ-UHFFFAOYSA-N
XLogP2.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane]?
The IUPAC name of spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane] (CID 659975) is spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane].
What is the SMILES notation for spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane]?
The canonical SMILES for spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane] is c1ccc2c(c1)CC1(CCCC1)n1nnnc1-2.
What is the InChIKey of spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane]?
The InChIKey is QNWUNSOOORTWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-2-6-11-10(5-1)9-13(7-3-4-8-13)17-12(11)14-15-16-17/h1-2,5-6H,3-4,7-9H2.
What are the key properties of spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane]?
spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane] has a molecular weight of 226.28 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclopentane] is sourced from PubChem (CID 659975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).