8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C10H7N3O — CID 18737197

IUPAC8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESOn1c2ncccc2c2cccnc21
InChIInChI=1S/C10H7N3O/c14-13-9-7(3-1-5-11-9)8-4-2-6-12-10(8)13/h1-6,14H
InChIKeyULRBGVHKXNJTJZ-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.82
Rot. Bonds

About 8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 18737197) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID18737197
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESOn1c2ncccc2c2cccnc21
InChIInChI=1S/C10H7N3O/c14-13-9-7(3-1-5-11-9)8-4-2-6-12-10(8)13/h1-6,14H
InChIKeyULRBGVHKXNJTJZ-UHFFFAOYSA-N
XLogP1.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54735001
1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one
CID 54735038
9-methylpyrido[2,3-b]indole
CID 12596580
6-oxobenzo[c][1,8]naphthyridine-5-carboxamide
CID 173214954
3-bromo-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 140950358
9-phenylpyrido[2,3-b]indole
CID 15939260
4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 53258701
ethane;9-methylpyrido[2,3-b]indole;propane
CID 171072564
4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079084
4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079085
(2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione
CID 59224789
3-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 153487723

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 18737197) is 8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is On1c2ncccc2c2cccnc21.
What is the InChIKey of 8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is ULRBGVHKXNJTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c14-13-9-7(3-1-5-11-9)8-4-2-6-12-10(8)13/h1-6,14H.
What are the key properties of 8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 185.19 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 18737197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).