7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione

C10H9N3O2 — CID 608994

IUPAC7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione
SMILESNc1nc2c(c3c1C(=O)NC3=O)CCC2
InChIInChI=1S/C10H9N3O2/c11-8-7-6(9(14)13-10(7)15)4-2-1-3-5(4)12-8/h1-3H2,(H2,11,12)(H,13,14,15)
InChIKeyLZOGEUGIKWHXTH-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.04
Rot. Bonds

About 7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione

7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione (PubChem CID 608994) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione.

Molecular Properties

Compound Name7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione
PubChem CID608994
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione
SMILESNc1nc2c(c3c1C(=O)NC3=O)CCC2
InChIInChI=1S/C10H9N3O2/c11-8-7-6(9(14)13-10(7)15)4-2-1-3-5(4)12-8/h1-3H2,(H2,11,12)(H,13,14,15)
InChIKeyLZOGEUGIKWHXTH-UHFFFAOYSA-N
XLogP0.04
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
CID 612492
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 5-butyl-1,3,6-trimethyl-
CID 3041227
6-Tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione
CID 2726359
6-Tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride
CID 45108854
2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 96572653
4-Amino-6-methyl-1H-pyrrolo(3,4-c)pyridine-1,3(2H)-dione
CID 600802
4-Amino-6,7-dimethyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 605645
5,6-Dimethyl-2-diethylaminopyridine-3,4-dicarboxyimide
CID 612802
1H-Pyrrolo[3,4-C]pyridine-1,3(2H)-dione, 4-amino-6-methyl-7-propyl-
CID 686365
4-amino-2-methyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
CID 686678
5-Amino-7-imino-4,8-diazatricyclo[7.5.0.0(2,6)]tetradeca-1(9),2(6),4-trien-3-one
CID 54612815
4-Amino-3-imino-3,6,7,8,9,10-hexahydrocyclo-hepta[b]pyrrolo[3,4-d]pyridine-1(2H)-one
CID 138376909

Frequently Asked Questions

What is the IUPAC name of 7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione?
The IUPAC name of 7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione (CID 608994) is 7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione.
What is the SMILES notation for 7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione?
The canonical SMILES for 7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione is Nc1nc2c(c3c1C(=O)NC3=O)CCC2.
What is the InChIKey of 7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione?
The InChIKey is LZOGEUGIKWHXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-8-7-6(9(14)13-10(7)15)4-2-1-3-5(4)12-8/h1-3H2,(H2,11,12)(H,13,14,15).
What are the key properties of 7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione?
7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione has a molecular weight of 203.20 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene-3,5-dione is sourced from PubChem (CID 608994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).