N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide

C15H19N3O — CID 59145922

IUPACN-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide
SMILESCC(=O)NCCC1CCc2ccn3nc(C)cc3c21
InChIInChI=1S/C15H19N3O/c1-10-9-14-15-12(5-7-16-11(2)19)3-4-13(15)6-8-18(14)17-10/h6,8-9,12H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyLNOYRKHBFXIKQK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.20
Rot. Bonds3

About N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide

N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide (PubChem CID 59145922) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide
PubChem CID59145922
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide
SMILESCC(=O)NCCC1CCc2ccn3nc(C)cc3c21
InChIInChI=1S/C15H19N3O/c1-10-9-14-15-12(5-7-16-11(2)19)3-4-13(15)6-8-18(14)17-10/h6,8-9,12H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyLNOYRKHBFXIKQK-UHFFFAOYSA-N
XLogP2.20
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide (CID 59145922) is N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide is CC(=O)NCCC1CCc2ccn3nc(C)cc3c21.
What is the InChIKey of N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide?
The InChIKey is LNOYRKHBFXIKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-9-14-15-12(5-7-16-11(2)19)3-4-13(15)6-8-18(14)17-10/h6,8-9,12H,3-5,7H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide?
N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-12-yl)ethyl]acetamide is sourced from PubChem (CID 59145922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).