N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C14H14N4O2 — CID 3237091

IUPACN,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
InChIInChI=1S/C14H14N4O2/c1-8-5-4-6-18-11(8)16-12-9(14(18)20)7-10(17(12)3)13(19)15-2/h4-7H,1-3H3,(H,15,19)
InChIKeyQJVYDOWMRODWJG-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.85
Rot. Bonds1

About N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 3237091) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID3237091
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
InChIInChI=1S/C14H14N4O2/c1-8-5-4-6-18-11(8)16-12-9(14(18)20)7-10(17(12)3)13(19)15-2/h4-7H,1-3H3,(H,15,19)
InChIKeyQJVYDOWMRODWJG-UHFFFAOYSA-N
XLogP0.85
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 3237091) is N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C.
What is the InChIKey of N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is QJVYDOWMRODWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-5-4-6-18-11(8)16-12-9(14(18)20)7-10(17(12)3)13(19)15-2/h4-7H,1-3H3,(H,15,19).
What are the key properties of N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6,10-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 3237091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).