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

C14H16N4 — CID 777819

IUPACspiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclohexane]
SMILESc1ccc2c(c1)CC1(CCCCC1)n1nnnc1-2
InChIInChI=1S/C14H16N4/c1-4-8-14(9-5-1)10-11-6-2-3-7-12(11)13-15-16-17-18(13)14/h2-3,6-7H,1,4-5,8-10H2
InChIKeyFDGWLIPQHYNIJS-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.56
Rot. Bonds

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

spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclohexane] (PubChem CID 777819) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclohexane].

Molecular Properties

Compound Namespiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclohexane]
PubChem CID777819
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Namespiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclohexane]
SMILESc1ccc2c(c1)CC1(CCCCC1)n1nnnc1-2
InChIInChI=1S/C14H16N4/c1-4-8-14(9-5-1)10-11-6-2-3-7-12(11)13-15-16-17-18(13)14/h2-3,6-7H,1,4-5,8-10H2
InChIKeyFDGWLIPQHYNIJS-UHFFFAOYSA-N
XLogP2.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.56
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'-cyclohexane]?
The IUPAC name of spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclohexane] (CID 777819) is spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclohexane].
What is the SMILES notation for spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclohexane]?
The canonical SMILES for spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclohexane] is c1ccc2c(c1)CC1(CCCCC1)n1nnnc1-2.
What is the InChIKey of spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclohexane]?
The InChIKey is FDGWLIPQHYNIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-4-8-14(9-5-1)10-11-6-2-3-7-12(11)13-15-16-17-18(13)14/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclohexane]?
spiro[6H-tetrazolo[5,1-a]isoquinoline-5,1'-cyclohexane] has a molecular weight of 240.31 g/mol, XLogP of 2.56, 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'-cyclohexane] is sourced from PubChem (CID 777819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).