10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride

C12H16ClN3O — CID 11368803

IUPAC10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride
SMILESCN(C)C1Cc2cccc3[nH]c(=O)n(c23)C1.Cl
InChIInChI=1S/C12H15N3O.ClH/c1-14(2)9-6-8-4-3-5-10-11(8)15(7-9)12(16)13-10;/h3-5,9H,6-7H2,1-2H3,(H,13,16);1H
InChIKeyBXKUFTKJISCDEI-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.24
Rot. Bonds1

About 10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride

10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride (PubChem CID 11368803) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride.

Molecular Properties

Compound Name10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride
PubChem CID11368803
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride
SMILESCN(C)C1Cc2cccc3[nH]c(=O)n(c23)C1.Cl
InChIInChI=1S/C12H15N3O.ClH/c1-14(2)9-6-8-4-3-5-10-11(8)15(7-9)12(16)13-10;/h3-5,9H,6-7H2,1-2H3,(H,13,16);1H
InChIKeyBXKUFTKJISCDEI-UHFFFAOYSA-N
XLogP1.24
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride?
The IUPAC name of 10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride (CID 11368803) is 10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride.
What is the SMILES notation for 10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride?
The canonical SMILES for 10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride is CN(C)C1Cc2cccc3[nH]c(=O)n(c23)C1.Cl.
What is the InChIKey of 10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride?
The InChIKey is BXKUFTKJISCDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.ClH/c1-14(2)9-6-8-4-3-5-10-11(8)15(7-9)12(16)13-10;/h3-5,9H,6-7H2,1-2H3,(H,13,16);1H.
What are the key properties of 10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride?
10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(dimethylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride is sourced from PubChem (CID 11368803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).