(3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one

C10H9N3O — CID 67351453

IUPAC(3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
SMILESN[C@H]1Cn2c(=O)cnc3cccc1c32
InChIInChI=1S/C10H9N3O/c11-7-5-13-9(14)4-12-8-3-1-2-6(7)10(8)13/h1-4,7H,5,11H2/t7-/m0/s1
InChIKeyVKOQRKOFXJITLT-ZETCQYMHSA-N
MW187.20 g/mol
LogP0.41
Rot. Bonds

About (3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one

(3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one (PubChem CID 67351453) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is (3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one.

Molecular Properties

Compound Name(3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
PubChem CID67351453
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name(3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
SMILESN[C@H]1Cn2c(=O)cnc3cccc1c32
InChIInChI=1S/C10H9N3O/c11-7-5-13-9(14)4-12-8-3-1-2-6(7)10(8)13/h1-4,7H,5,11H2/t7-/m0/s1
InChIKeyVKOQRKOFXJITLT-ZETCQYMHSA-N
XLogP0.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one?
The IUPAC name of (3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one (CID 67351453) is (3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one.
What is the SMILES notation for (3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one?
The canonical SMILES for (3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one is N[C@H]1Cn2c(=O)cnc3cccc1c32.
What is the InChIKey of (3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one?
The InChIKey is VKOQRKOFXJITLT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9N3O/c11-7-5-13-9(14)4-12-8-3-1-2-6(7)10(8)13/h1-4,7H,5,11H2/t7-/m0/s1.
What are the key properties of (3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one?
(3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one has a molecular weight of 187.20 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one is sourced from PubChem (CID 67351453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).