3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol

C6H2N4O — CID 137213810

IUPAC3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol
SMILESOc1cc2nnc2c2nnc12
InChIInChI=1S/C6H2N4O/c11-3-1-2-4(8-7-2)6-5(3)9-10-6/h1,11H
InChIKeyJUMFNWFVIMMCNU-UHFFFAOYSA-N
MW146.11 g/mol
LogP0.15
Rot. Bonds

About 3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol

3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol (PubChem CID 137213810) has the molecular formula C6H2N4O and a molecular weight of 146.11 g/mol. Its IUPAC name is 3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol.

Molecular Properties

Compound Name3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol
PubChem CID137213810
Molecular FormulaC6H2N4O
Molecular Weight146.11 g/mol
Exact Mass146.02
IUPAC Name3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol
SMILESOc1cc2nnc2c2nnc12
InChIInChI=1S/C6H2N4O/c11-3-1-2-4(8-7-2)6-5(3)9-10-6/h1,11H
InChIKeyJUMFNWFVIMMCNU-UHFFFAOYSA-N
XLogP0.15
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.11
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol with MolForge

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Related Compounds

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CID 143121892
3,4-dimethylphenazin-2-ol
CID 136700372
ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane
CID 142879404
2-anilinoacridin-4-ol
CID 165155803
4-amino-2,6-dimethylquinazolin-8-ol
CID 174271582
2-amino-7-fluoro-1,5-naphthyridin-3-ol
CID 146591870
6-[4-(dimethylamino)anilino]quinoline-5,8-diol
CID 135453963
7-sulfanylphenazine-2,3-diol
CID 163978493
2-(4-hydroxyanilino)benzene-1,4-diol
CID 171920009
6,7,8-trihydroxyphenazine-2-carboxamide
CID 135583176

Frequently Asked Questions

What is the IUPAC name of 3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol?
The IUPAC name of 3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol (CID 137213810) is 3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol.
What is the SMILES notation for 3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol?
The canonical SMILES for 3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol is Oc1cc2nnc2c2nnc12.
What is the InChIKey of 3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol?
The InChIKey is JUMFNWFVIMMCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2N4O/c11-3-1-2-4(8-7-2)6-5(3)9-10-6/h1,11H.
What are the key properties of 3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol?
3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol has a molecular weight of 146.11 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,9,10-tetrazatricyclo[6.2.0.02,5]deca-1,3,5,7,9-pentaen-6-ol is sourced from PubChem (CID 137213810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).