11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide

C19H20N6O2 — CID 172622240

IUPAC11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide
SMILESCOc1ccc(C)c(-c2c(N)c(C(N)=O)n3cc(C)n4ncnc4c23)c1C
InChIInChI=1S/C19H20N6O2/c1-9-5-6-12(27-4)11(3)13(9)14-15(20)17(18(21)26)24-7-10(2)25-19(16(14)24)22-8-23-25/h5-8H,20H2,1-4H3,(H2,21,26)
InChIKeyMXMFNAOKGBUFHI-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.26
Rot. Bonds3

About 11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide

11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide (PubChem CID 172622240) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide.

Molecular Properties

Compound Name11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide
PubChem CID172622240
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide
SMILESCOc1ccc(C)c(-c2c(N)c(C(N)=O)n3cc(C)n4ncnc4c23)c1C
InChIInChI=1S/C19H20N6O2/c1-9-5-6-12(27-4)11(3)13(9)14-15(20)17(18(21)26)24-7-10(2)25-19(16(14)24)22-8-23-25/h5-8H,20H2,1-4H3,(H2,21,26)
InChIKeyMXMFNAOKGBUFHI-UHFFFAOYSA-N
XLogP2.26
TPSA112.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide?
The IUPAC name of 11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide (CID 172622240) is 11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide.
What is the SMILES notation for 11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide?
The canonical SMILES for 11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide is COc1ccc(C)c(-c2c(N)c(C(N)=O)n3cc(C)n4ncnc4c23)c1C.
What is the InChIKey of 11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide?
The InChIKey is MXMFNAOKGBUFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-9-5-6-12(27-4)11(3)13(9)14-15(20)17(18(21)26)24-7-10(2)25-19(16(14)24)22-8-23-25/h5-8H,20H2,1-4H3,(H2,21,26).
What are the key properties of 11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide?
11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide is sourced from PubChem (CID 172622240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).