4H-tetrazolo[5,1-c][1,4]benzoxazin-7-amine

C8H7N5O — CID 54495840

IUPAC4H-tetrazolo[5,1-c][1,4]benzoxazin-7-amine
SMILESNc1ccc2c(c1)OCc1nnnn1-2
InChIInChI=1S/C8H7N5O/c9-5-1-2-6-7(3-5)14-4-8-10-11-12-13(6)8/h1-3H,4,9H2
InChIKeyXZALCNAVXGHIEM-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.14
Rot. Bonds

About 4H-tetrazolo[5,1-c][1,4]benzoxazin-7-amine

4H-tetrazolo[5,1-c][1,4]benzoxazin-7-amine (PubChem CID 54495840) 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-7-amine.

Molecular Properties

Compound Name4H-tetrazolo[5,1-c][1,4]benzoxazin-7-amine
PubChem CID54495840
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name4H-tetrazolo[5,1-c][1,4]benzoxazin-7-amine
SMILESNc1ccc2c(c1)OCc1nnnn1-2
InChIInChI=1S/C8H7N5O/c9-5-1-2-6-7(3-5)14-4-8-10-11-12-13(6)8/h1-3H,4,9H2
InChIKeyXZALCNAVXGHIEM-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-7-amine?
The IUPAC name of 4H-tetrazolo[5,1-c][1,4]benzoxazin-7-amine (CID 54495840) is 4H-tetrazolo[5,1-c][1,4]benzoxazin-7-amine.
What is the SMILES notation for 4H-tetrazolo[5,1-c][1,4]benzoxazin-7-amine?
The canonical SMILES for 4H-tetrazolo[5,1-c][1,4]benzoxazin-7-amine is Nc1ccc2c(c1)OCc1nnnn1-2.
What is the InChIKey of 4H-tetrazolo[5,1-c][1,4]benzoxazin-7-amine?
The InChIKey is XZALCNAVXGHIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c9-5-1-2-6-7(3-5)14-4-8-10-11-12-13(6)8/h1-3H,4,9H2.
What are the key properties of 4H-tetrazolo[5,1-c][1,4]benzoxazin-7-amine?
4H-tetrazolo[5,1-c][1,4]benzoxazin-7-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-7-amine is sourced from PubChem (CID 54495840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).