4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine

C8H7N5O — CID 59410530

IUPAC4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine
SMILESNc1ccc2c(c1)-n1nnnc1CO2
InChIInChI=1S/C8H7N5O/c9-5-1-2-7-6(3-5)13-8(4-14-7)10-11-12-13/h1-3H,4,9H2
InChIKeyLWCDQIOXKXLSOL-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.14
Rot. Bonds

About 4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine

4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine (PubChem CID 59410530) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine.

Molecular Properties

Compound Name4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine
PubChem CID59410530
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine
SMILESNc1ccc2c(c1)-n1nnnc1CO2
InChIInChI=1S/C8H7N5O/c9-5-1-2-7-6(3-5)13-8(4-14-7)10-11-12-13/h1-3H,4,9H2
InChIKeyLWCDQIOXKXLSOL-UHFFFAOYSA-N
XLogP0.14
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.14
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 4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine?
The IUPAC name of 4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine (CID 59410530) is 4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine.
What is the SMILES notation for 4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine?
The canonical SMILES for 4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine is Nc1ccc2c(c1)-n1nnnc1CO2.
What is the InChIKey of 4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine?
The InChIKey is LWCDQIOXKXLSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c9-5-1-2-7-6(3-5)13-8(4-14-7)10-11-12-13/h1-3H,4,9H2.
What are the key properties of 4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine?
4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine has a molecular weight of 189.18 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine is sourced from PubChem (CID 59410530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).