16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one

C16H16N4O — CID 18975429

IUPAC16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
SMILESCCCC1(N)c2ccccc2-c2[nH]c(=O)c3nccn3c21
InChIInChI=1S/C16H16N4O/c1-2-7-16(17)11-6-4-3-5-10(11)12-13(16)20-9-8-18-14(20)15(21)19-12/h3-6,8-9H,2,7,17H2,1H3,(H,19,21)
InChIKeyFDUVYYIIYYFDEW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.01
Rot. Bonds2

About 16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one

16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one (PubChem CID 18975429) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one.

Molecular Properties

Compound Name16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
PubChem CID18975429
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
SMILESCCCC1(N)c2ccccc2-c2[nH]c(=O)c3nccn3c21
InChIInChI=1S/C16H16N4O/c1-2-7-16(17)11-6-4-3-5-10(11)12-13(16)20-9-8-18-14(20)15(21)19-12/h3-6,8-9H,2,7,17H2,1H3,(H,19,21)
InChIKeyFDUVYYIIYYFDEW-UHFFFAOYSA-N
XLogP2.01
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-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 16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one?
The IUPAC name of 16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one (CID 18975429) is 16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one.
What is the SMILES notation for 16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one?
The canonical SMILES for 16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one is CCCC1(N)c2ccccc2-c2[nH]c(=O)c3nccn3c21.
What is the InChIKey of 16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one?
The InChIKey is FDUVYYIIYYFDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-7-16(17)11-6-4-3-5-10(11)12-13(16)20-9-8-18-14(20)15(21)19-12/h3-6,8-9H,2,7,17H2,1H3,(H,19,21).
What are the key properties of 16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one?
16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one has a molecular weight of 280.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one is sourced from PubChem (CID 18975429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).