N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide

C11H10N6O2 — CID 17198726

IUPACN-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide
SMILESCC(=O)Nn1ccc2c(cnc3nc(C)nn32)c1=O
InChIInChI=1S/C11H10N6O2/c1-6-13-11-12-5-8-9(17(11)14-6)3-4-16(10(8)19)15-7(2)18/h3-5H,1-2H3,(H,15,18)
InChIKeyZSSJQPSXSKDIEK-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.16
Rot. Bonds1

About N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide

N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide (PubChem CID 17198726) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide
PubChem CID17198726
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC NameN-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide
SMILESCC(=O)Nn1ccc2c(cnc3nc(C)nn32)c1=O
InChIInChI=1S/C11H10N6O2/c1-6-13-11-12-5-8-9(17(11)14-6)3-4-16(10(8)19)15-7(2)18/h3-5H,1-2H3,(H,15,18)
InChIKeyZSSJQPSXSKDIEK-UHFFFAOYSA-N
XLogP-0.16
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide?
The IUPAC name of N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide (CID 17198726) is N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide.
What is the SMILES notation for N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide?
The canonical SMILES for N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide is CC(=O)Nn1ccc2c(cnc3nc(C)nn32)c1=O.
What is the InChIKey of N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide?
The InChIKey is ZSSJQPSXSKDIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c1-6-13-11-12-5-8-9(17(11)14-6)3-4-16(10(8)19)15-7(2)18/h3-5H,1-2H3,(H,15,18).
What are the key properties of N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide?
N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide has a molecular weight of 258.24 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide is sourced from PubChem (CID 17198726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).