12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine

C7H6N8O — CID 171785298

IUPAC12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine
SMILES[H]/N=c1\ccnc2c3c(N)n(O)nnc3nn12
InChIInChI=1S/C7H6N8O/c8-3-1-2-10-7-4-5(9)15(16)13-11-6(4)12-14(3)7/h1-2,8,16H,9H2/b8-3+
InChIKeyWKXKZMLZSFTHDD-FPYGCLRLSA-N
MW218.18 g/mol
LogP-1.23
Rot. Bonds

About 12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine

12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine (PubChem CID 171785298) has the molecular formula C7H6N8O and a molecular weight of 218.18 g/mol. Its IUPAC name is 12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine.

Molecular Properties

Compound Name12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine
PubChem CID171785298
Molecular FormulaC7H6N8O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine
SMILES[H]/N=c1\ccnc2c3c(N)n(O)nnc3nn12
InChIInChI=1S/C7H6N8O/c8-3-1-2-10-7-4-5(9)15(16)13-11-6(4)12-14(3)7/h1-2,8,16H,9H2/b8-3+
InChIKeyWKXKZMLZSFTHDD-FPYGCLRLSA-N
XLogP-1.23
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine?
The IUPAC name of 12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine (CID 171785298) is 12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine.
What is the SMILES notation for 12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine?
The canonical SMILES for 12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine is [H]/N=c1\ccnc2c3c(N)n(O)nnc3nn12.
What is the InChIKey of 12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine?
The InChIKey is WKXKZMLZSFTHDD-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H6N8O/c8-3-1-2-10-7-4-5(9)15(16)13-11-6(4)12-14(3)7/h1-2,8,16H,9H2/b8-3+.
What are the key properties of 12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine?
12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine has a molecular weight of 218.18 g/mol, XLogP of -1.23, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-6-imino-3,7,8,10,11,12-hexazatricyclo[7.4.0.02,7]trideca-1(13),2,4,8,10-pentaen-13-amine is sourced from PubChem (CID 171785298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).