spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine

C11H11N5O — CID 59410526

IUPACspiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine
SMILESNc1ccc2c(c1)-n1nnnc1C1(CCC1)O2
InChIInChI=1S/C11H11N5O/c12-7-2-3-9-8(6-7)16-10(13-14-15-16)11(17-9)4-1-5-11/h2-3,6H,1,4-5,12H2
InChIKeyHPFSJKVMDKVAIT-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.02
Rot. Bonds

About spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine

spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine (PubChem CID 59410526) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine.

Molecular Properties

Compound Namespiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine
PubChem CID59410526
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Namespiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine
SMILESNc1ccc2c(c1)-n1nnnc1C1(CCC1)O2
InChIInChI=1S/C11H11N5O/c12-7-2-3-9-8(6-7)16-10(13-14-15-16)11(17-9)4-1-5-11/h2-3,6H,1,4-5,12H2
InChIKeyHPFSJKVMDKVAIT-UHFFFAOYSA-N
XLogP1.02
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine?
The IUPAC name of spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine (CID 59410526) is spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine.
What is the SMILES notation for spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine?
The canonical SMILES for spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine is Nc1ccc2c(c1)-n1nnnc1C1(CCC1)O2.
What is the InChIKey of spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine?
The InChIKey is HPFSJKVMDKVAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-7-2-3-9-8(6-7)16-10(13-14-15-16)11(17-9)4-1-5-11/h2-3,6H,1,4-5,12H2.
What are the key properties of spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine?
spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine has a molecular weight of 229.24 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclobutane-1,4'-tetrazolo[5,1-c][1,4]benzoxazine]-8'-amine is sourced from PubChem (CID 59410526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).