10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C11H13N3O — CID 19919348

IUPAC10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCC1c2cccc3[nH]c(=O)n(c23)CC1N
InChIInChI=1S/C11H13N3O/c1-6-7-3-2-4-9-10(7)14(5-8(6)12)11(15)13-9/h2-4,6,8H,5,12H2,1H3,(H,13,15)
InChIKeyMCRNIGLXMHPKOM-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.77
Rot. Bonds

About 10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 19919348) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID19919348
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCC1c2cccc3[nH]c(=O)n(c23)CC1N
InChIInChI=1S/C11H13N3O/c1-6-7-3-2-4-9-10(7)14(5-8(6)12)11(15)13-9/h2-4,6,8H,5,12H2,1H3,(H,13,15)
InChIKeyMCRNIGLXMHPKOM-UHFFFAOYSA-N
XLogP0.77
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of 10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 19919348) is 10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for 10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for 10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is CC1c2cccc3[nH]c(=O)n(c23)CC1N.
What is the InChIKey of 10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is MCRNIGLXMHPKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6-7-3-2-4-9-10(7)14(5-8(6)12)11(15)13-9/h2-4,6,8H,5,12H2,1H3,(H,13,15).
What are the key properties of 10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 203.24 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 19919348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).