12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one

C10H12N4O — CID 143893473

IUPAC12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one
SMILESCC1(C)C(=O)NC2=Nc3cc[nH]c3CN21
InChIInChI=1S/C10H12N4O/c1-10(2)8(15)13-9-12-6-3-4-11-7(6)5-14(9)10/h3-4,11H,5H2,1-2H3,(H,12,13,15)
InChIKeyKZWVCOLPDBVHTJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.73
Rot. Bonds

About 12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one

12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one (PubChem CID 143893473) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one.

Molecular Properties

Compound Name12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one
PubChem CID143893473
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one
SMILESCC1(C)C(=O)NC2=Nc3cc[nH]c3CN21
InChIInChI=1S/C10H12N4O/c1-10(2)8(15)13-9-12-6-3-4-11-7(6)5-14(9)10/h3-4,11H,5H2,1-2H3,(H,12,13,15)
InChIKeyKZWVCOLPDBVHTJ-UHFFFAOYSA-N
XLogP0.73
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one?
The IUPAC name of 12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one (CID 143893473) is 12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one.
What is the SMILES notation for 12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one?
The canonical SMILES for 12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one is CC1(C)C(=O)NC2=Nc3cc[nH]c3CN21.
What is the InChIKey of 12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one?
The InChIKey is KZWVCOLPDBVHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-10(2)8(15)13-9-12-6-3-4-11-7(6)5-14(9)10/h3-4,11H,5H2,1-2H3,(H,12,13,15).
What are the key properties of 12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one?
12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one has a molecular weight of 204.23 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-1,4,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-11-one is sourced from PubChem (CID 143893473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).