4H-tetrazolo[5,1-c][1,4]benzoxazine

C8H6N4O — CID 14900504

IUPAC4H-tetrazolo[5,1-c][1,4]benzoxazine
SMILESc1ccc2c(c1)OCc1nnnn1-2
InChIInChI=1S/C8H6N4O/c1-2-4-7-6(3-1)12-8(5-13-7)9-10-11-12/h1-4H,5H2
InChIKeyUKHXMDPSRPDORA-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.55
Rot. Bonds

About 4H-tetrazolo[5,1-c][1,4]benzoxazine

4H-tetrazolo[5,1-c][1,4]benzoxazine (PubChem CID 14900504) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 4H-tetrazolo[5,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name4H-tetrazolo[5,1-c][1,4]benzoxazine
PubChem CID14900504
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name4H-tetrazolo[5,1-c][1,4]benzoxazine
SMILESc1ccc2c(c1)OCc1nnnn1-2
InChIInChI=1S/C8H6N4O/c1-2-4-7-6(3-1)12-8(5-13-7)9-10-11-12/h1-4H,5H2
InChIKeyUKHXMDPSRPDORA-UHFFFAOYSA-N
XLogP0.55
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4H-pyrazolo[5,1-c][1,4]benzoxazine
CID 70287326
1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 24847216
4-[3-[(1-phenyltetrazol-5-yl)amino]propyl]-1,4-benzoxazin-3-one
CID 133330664
4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
CID 12909287
1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 138806888
1-(2,5-dimethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 138810152
1-(1-pyrazol-1-ylethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 138809818
4-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propyl]-1,4-benzoxazin-3-one
CID 133330600
2-methyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepine
CID 11008969
4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepine-2-carboxamide
CID 67050641
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzoxazepine
CID 14687094

Frequently Asked Questions

What is the IUPAC name of 4H-tetrazolo[5,1-c][1,4]benzoxazine?
The IUPAC name of 4H-tetrazolo[5,1-c][1,4]benzoxazine (CID 14900504) is 4H-tetrazolo[5,1-c][1,4]benzoxazine.
What is the SMILES notation for 4H-tetrazolo[5,1-c][1,4]benzoxazine?
The canonical SMILES for 4H-tetrazolo[5,1-c][1,4]benzoxazine is c1ccc2c(c1)OCc1nnnn1-2.
What is the InChIKey of 4H-tetrazolo[5,1-c][1,4]benzoxazine?
The InChIKey is UKHXMDPSRPDORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c1-2-4-7-6(3-1)12-8(5-13-7)9-10-11-12/h1-4H,5H2.
What are the key properties of 4H-tetrazolo[5,1-c][1,4]benzoxazine?
4H-tetrazolo[5,1-c][1,4]benzoxazine has a molecular weight of 174.16 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-tetrazolo[5,1-c][1,4]benzoxazine is sourced from PubChem (CID 14900504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).