4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione

C10H8N4O2 — CID 13405298

IUPAC4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
SMILESCc1cnn2c(=O)c3c(C)cnn3c(=O)c12
InChIInChI=1S/C10H8N4O2/c1-5-3-11-13-7(5)9(15)14-8(10(13)16)6(2)4-12-14/h3-4H,1-2H3
InChIKeyAKCCGNWRVDTOMC-UHFFFAOYSA-N
MW216.20 g/mol
LogP-0.24
Rot. Bonds

About 4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione

4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione (PubChem CID 13405298) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione.

Molecular Properties

Compound Name4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
PubChem CID13405298
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
SMILESCc1cnn2c(=O)c3c(C)cnn3c(=O)c12
InChIInChI=1S/C10H8N4O2/c1-5-3-11-13-7(5)9(15)14-8(10(13)16)6(2)4-12-14/h3-4H,1-2H3
InChIKeyAKCCGNWRVDTOMC-UHFFFAOYSA-N
XLogP-0.24
TPSA68.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione?
The IUPAC name of 4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione (CID 13405298) is 4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione.
What is the SMILES notation for 4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione?
The canonical SMILES for 4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione is Cc1cnn2c(=O)c3c(C)cnn3c(=O)c12.
What is the InChIKey of 4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione?
The InChIKey is AKCCGNWRVDTOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c1-5-3-11-13-7(5)9(15)14-8(10(13)16)6(2)4-12-14/h3-4H,1-2H3.
What are the key properties of 4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione?
4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione has a molecular weight of 216.20 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione is sourced from PubChem (CID 13405298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).