(5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one

C11H13N3O — CID 130317370

IUPAC(5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one
SMILESCN1C(=O)[C@@H](N)C2CC2c2cccnc21
InChIInChI=1S/C11H13N3O/c1-14-10-6(3-2-4-13-10)7-5-8(7)9(12)11(14)15/h2-4,7-9H,5,12H2,1H3/t7?,8?,9-/m0/s1
InChIKeyRATNDDVIIWIJDY-HACHORDNSA-N
MW203.24 g/mol
LogP0.49
Rot. Bonds

About (5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one

(5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one (PubChem CID 130317370) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is (5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one.

Molecular Properties

Compound Name(5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one
PubChem CID130317370
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name(5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one
SMILESCN1C(=O)[C@@H](N)C2CC2c2cccnc21
InChIInChI=1S/C11H13N3O/c1-14-10-6(3-2-4-13-10)7-5-8(7)9(12)11(14)15/h2-4,7-9H,5,12H2,1H3/t7?,8?,9-/m0/s1
InChIKeyRATNDDVIIWIJDY-HACHORDNSA-N
XLogP0.49
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one?
The IUPAC name of (5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one (CID 130317370) is (5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one.
What is the SMILES notation for (5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one?
The canonical SMILES for (5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one is CN1C(=O)[C@@H](N)C2CC2c2cccnc21.
What is the InChIKey of (5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one?
The InChIKey is RATNDDVIIWIJDY-HACHORDNSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-10-6(3-2-4-13-10)7-5-8(7)9(12)11(14)15/h2-4,7-9H,5,12H2,1H3/t7?,8?,9-/m0/s1.
What are the key properties of (5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one?
(5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one has a molecular weight of 203.24 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-7-methyl-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-6-one is sourced from PubChem (CID 130317370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).