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

C11H11N3O — CID 4002

IUPAC10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one
SMILESCn1cc2c3c1C(=O)C(N)=CC3=NCC2
InChIInChI=1S/C11H11N3O/c1-14-5-6-2-3-13-8-4-7(12)11(15)10(14)9(6)8/h4-5H,2-3,12H2,1H3
InChIKeyRUIRYCQUTHWLMZ-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.41
Rot. Bonds

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

10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one (PubChem CID 4002) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one.

Molecular Properties

Compound Name10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one
PubChem CID4002
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one
SMILESCn1cc2c3c1C(=O)C(N)=CC3=NCC2
InChIInChI=1S/C11H11N3O/c1-14-5-6-2-3-13-8-4-7(12)11(15)10(14)9(6)8/h4-5H,2-3,12H2,1H3
InChIKeyRUIRYCQUTHWLMZ-UHFFFAOYSA-N
XLogP0.41
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

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Makaluvamine H
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2-Acetyl-4-isopropenylpyridine
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2-Acetyl-4-isopropylpyridine
CID 529345
10-Amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one
CID 10012994
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CID 2947
Discorhabdine C
CID 9891193
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3-Methyl-7-(methylamino)isoquinoline-5,8-dione
CID 21818908

Frequently Asked Questions

What is the IUPAC name of 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one?
The IUPAC name of 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one (CID 4002) is 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one.
What is the SMILES notation for 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one?
The canonical SMILES for 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one is Cn1cc2c3c1C(=O)C(N)=CC3=NCC2.
What is the InChIKey of 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one?
The InChIKey is RUIRYCQUTHWLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-14-5-6-2-3-13-8-4-7(12)11(15)10(14)9(6)8/h4-5H,2-3,12H2,1H3.
What are the key properties of 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one?
10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one has a molecular weight of 201.23 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 10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one is sourced from PubChem (CID 4002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).