3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

C15H18N4O2 — CID 155199636

IUPAC3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
SMILESCN1CC(=O)N(N)Cc2[nH]c3ccccc3c2CCC1=O
InChIInChI=1S/C15H18N4O2/c1-18-9-15(21)19(16)8-13-11(6-7-14(18)20)10-4-2-3-5-12(10)17-13/h2-5,17H,6-9,16H2,1H3
InChIKeyRQFMSDOCJMDWCX-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.77
Rot. Bonds

About 3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione (PubChem CID 155199636) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione.

Molecular Properties

Compound Name3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
PubChem CID155199636
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
SMILESCN1CC(=O)N(N)Cc2[nH]c3ccccc3c2CCC1=O
InChIInChI=1S/C15H18N4O2/c1-18-9-15(21)19(16)8-13-11(6-7-14(18)20)10-4-2-3-5-12(10)17-13/h2-5,17H,6-9,16H2,1H3
InChIKeyRQFMSDOCJMDWCX-UHFFFAOYSA-N
XLogP0.77
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione?
The IUPAC name of 3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione (CID 155199636) is 3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione.
What is the SMILES notation for 3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione?
The canonical SMILES for 3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is CN1CC(=O)N(N)Cc2[nH]c3ccccc3c2CCC1=O.
What is the InChIKey of 3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione?
The InChIKey is RQFMSDOCJMDWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-9-15(21)19(16)8-13-11(6-7-14(18)20)10-4-2-3-5-12(10)17-13/h2-5,17H,6-9,16H2,1H3.
What are the key properties of 3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione?
3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione has a molecular weight of 286.33 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 3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is sourced from PubChem (CID 155199636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).