10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one

C11H9N3O — CID 10012994

IUPAC10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one
SMILESCn1cc2ccnc3c2c1C(=O)C(N)=C3
InChIInChI=1S/C11H9N3O/c1-14-5-6-2-3-13-8-4-7(12)11(15)10(14)9(6)8/h2-5H,12H2,1H3
InChIKeyMDDZOALUQCOAFR-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.07
Rot. Bonds

About 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one

10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one (PubChem CID 10012994) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one.

Molecular Properties

Compound Name10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one
PubChem CID10012994
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one
SMILESCn1cc2ccnc3c2c1C(=O)C(N)=C3
InChIInChI=1S/C11H9N3O/c1-14-5-6-2-3-13-8-4-7(12)11(15)10(14)9(6)8/h2-5H,12H2,1H3
InChIKeyMDDZOALUQCOAFR-UHFFFAOYSA-N
XLogP1.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one?
The IUPAC name of 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one (CID 10012994) is 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one.
What is the SMILES notation for 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one?
The canonical SMILES for 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one is Cn1cc2ccnc3c2c1C(=O)C(N)=C3.
What is the InChIKey of 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one?
The InChIKey is MDDZOALUQCOAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-14-5-6-2-3-13-8-4-7(12)11(15)10(14)9(6)8/h2-5H,12H2,1H3.
What are the key properties of 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one?
10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one has a molecular weight of 199.21 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one is sourced from PubChem (CID 10012994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).