3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione

C11H10N4O2 — CID 24998410

IUPAC3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
SMILESCn1c(=O)c2[nH]c3cnccc3c2n(C)c1=O
InChIInChI=1S/C11H10N4O2/c1-14-9-6-3-4-12-5-7(6)13-8(9)10(16)15(2)11(14)17/h3-5,13H,1-2H3
InChIKeyRMTZWBNOVKUCRQ-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.11
Rot. Bonds

About 3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione

3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione (PubChem CID 24998410) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.

Molecular Properties

Compound Name3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
PubChem CID24998410
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
SMILESCn1c(=O)c2[nH]c3cnccc3c2n(C)c1=O
InChIInChI=1S/C11H10N4O2/c1-14-9-6-3-4-12-5-7(6)13-8(9)10(16)15(2)11(14)17/h3-5,13H,1-2H3
InChIKeyRMTZWBNOVKUCRQ-UHFFFAOYSA-N
XLogP0.11
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione?
The IUPAC name of 3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione (CID 24998410) is 3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.
What is the SMILES notation for 3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione?
The canonical SMILES for 3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione is Cn1c(=O)c2[nH]c3cnccc3c2n(C)c1=O.
What is the InChIKey of 3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione?
The InChIKey is RMTZWBNOVKUCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-14-9-6-3-4-12-5-7(6)13-8(9)10(16)15(2)11(14)17/h3-5,13H,1-2H3.
What are the key properties of 3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione?
3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione has a molecular weight of 230.23 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione is sourced from PubChem (CID 24998410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).