1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride

C10H10Cl2N2O2 — CID 140551706

IUPAC1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride
SMILESCl.Cl.O=c1ccc2ccc(=O)n3c2n1CC3
InChIInChI=1S/C10H8N2O2.2ClH/c13-8-3-1-7-2-4-9(14)12-6-5-11(8)10(7)12;;/h1-4H,5-6H2;2*1H
InChIKeyGVZMSALQPFXMBR-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.02
Rot. Bonds

About 1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride

1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride (PubChem CID 140551706) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride.

Molecular Properties

Compound Name1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride
PubChem CID140551706
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride
SMILESCl.Cl.O=c1ccc2ccc(=O)n3c2n1CC3
InChIInChI=1S/C10H8N2O2.2ClH/c13-8-3-1-7-2-4-9(14)12-6-5-11(8)10(7)12;;/h1-4H,5-6H2;2*1H
InChIKeyGVZMSALQPFXMBR-UHFFFAOYSA-N
XLogP1.02
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride with MolForge

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Related Compounds

8-Acetyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 13620723
1,4-Diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
CID 67030452
2,7-Dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
CID 70668025
2-Ethyl-7-methyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
CID 91545564
1,4-Diazatricyclo[6.3.1.04,12]dodeca-2,6,8(12),9-tetraene-5,11-dione;dihydrochloride
CID 140814928
1,4-Diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;hydrochloride
CID 142701969
2-Methyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
CID 152645507
1,4-Diazatricyclo[6.3.1.04,12]dodeca-6,8(12)-diene-5,11-dione
CID 153942422
1-Methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carbonitrile
CID 12101522
8-(aminomethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 82414601
8-(Aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96629179
2-Ethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
CID 145497314

Frequently Asked Questions

What is the IUPAC name of 1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride?
The IUPAC name of 1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride (CID 140551706) is 1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride.
What is the SMILES notation for 1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride?
The canonical SMILES for 1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride is Cl.Cl.O=c1ccc2ccc(=O)n3c2n1CC3.
What is the InChIKey of 1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride?
The InChIKey is GVZMSALQPFXMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.2ClH/c13-8-3-1-7-2-4-9(14)12-6-5-11(8)10(7)12;;/h1-4H,5-6H2;2*1H.
What are the key properties of 1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride?
1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride has a molecular weight of 261.11 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride is sourced from PubChem (CID 140551706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).