6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one

C9H5ClN6O — CID 135515017

IUPAC6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one
SMILESO=c1[nH]c2nnnn2nc1-c1ccc(Cl)cc1
InChIInChI=1S/C9H5ClN6O/c10-6-3-1-5(2-4-6)7-8(17)11-9-12-14-15-16(9)13-7/h1-4H,(H,11,12,15,17)
InChIKeyORRHUIPQIOBMRI-UHFFFAOYSA-N
MW248.63 g/mol
LogP0.53
Rot. Bonds1

About 6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one

6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one (PubChem CID 135515017) has the molecular formula C9H5ClN6O and a molecular weight of 248.63 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one
PubChem CID135515017
Molecular FormulaC9H5ClN6O
Molecular Weight248.63 g/mol
Exact Mass248.02
IUPAC Name6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one
SMILESO=c1[nH]c2nnnn2nc1-c1ccc(Cl)cc1
InChIInChI=1S/C9H5ClN6O/c10-6-3-1-5(2-4-6)7-8(17)11-9-12-14-15-16(9)13-7/h1-4H,(H,11,12,15,17)
InChIKeyORRHUIPQIOBMRI-UHFFFAOYSA-N
XLogP0.53
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.63
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one (CID 135515017) is 6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one is O=c1[nH]c2nnnn2nc1-c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one?
The InChIKey is ORRHUIPQIOBMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN6O/c10-6-3-1-5(2-4-6)7-8(17)11-9-12-14-15-16(9)13-7/h1-4H,(H,11,12,15,17).
What are the key properties of 6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one?
6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one has a molecular weight of 248.63 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one is sourced from PubChem (CID 135515017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).