10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione

C10H11N3O4 — CID 130255395

IUPAC10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
SMILESO=C1c2c(O)c(=O)c(O)cn2CN2CCCN12
InChIInChI=1S/C10H11N3O4/c14-6-4-11-5-12-2-1-3-13(12)10(17)7(11)9(16)8(6)15/h4,14,16H,1-3,5H2
InChIKeyQAGMBJHZICVPNM-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.71
Rot. Bonds

About 10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione

10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione (PubChem CID 130255395) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione.

Molecular Properties

Compound Name10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
PubChem CID130255395
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
SMILESO=C1c2c(O)c(=O)c(O)cn2CN2CCCN12
InChIInChI=1S/C10H11N3O4/c14-6-4-11-5-12-2-1-3-13(12)10(17)7(11)9(16)8(6)15/h4,14,16H,1-3,5H2
InChIKeyQAGMBJHZICVPNM-UHFFFAOYSA-N
XLogP-0.71
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
The IUPAC name of 10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione (CID 130255395) is 10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione.
What is the SMILES notation for 10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
The canonical SMILES for 10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione is O=C1c2c(O)c(=O)c(O)cn2CN2CCCN12.
What is the InChIKey of 10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
The InChIKey is QAGMBJHZICVPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-6-4-11-5-12-2-1-3-13(12)10(17)7(11)9(16)8(6)15/h4,14,16H,1-3,5H2.
What are the key properties of 10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione has a molecular weight of 237.21 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione is sourced from PubChem (CID 130255395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).