N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide

C11H11N5O3 — CID 175044445

IUPACN,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide
SMILESCN(C)C(=O)c1cc2nc3c(c(=O)n2[nH]1)CNC3=O
InChIInChI=1S/C11H11N5O3/c1-15(2)11(19)6-3-7-13-8-5(4-12-9(8)17)10(18)16(7)14-6/h3,14H,4H2,1-2H3,(H,12,17)
InChIKeyYEPHBEAHUHXDHY-UHFFFAOYSA-N
MW261.24 g/mol
LogP-1.03
Rot. Bonds1

About N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide

N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide (PubChem CID 175044445) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide
PubChem CID175044445
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC NameN,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide
SMILESCN(C)C(=O)c1cc2nc3c(c(=O)n2[nH]1)CNC3=O
InChIInChI=1S/C11H11N5O3/c1-15(2)11(19)6-3-7-13-8-5(4-12-9(8)17)10(18)16(7)14-6/h3,14H,4H2,1-2H3,(H,12,17)
InChIKeyYEPHBEAHUHXDHY-UHFFFAOYSA-N
XLogP-1.03
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide?
The IUPAC name of N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide (CID 175044445) is N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide.
What is the SMILES notation for N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide?
The canonical SMILES for N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide is CN(C)C(=O)c1cc2nc3c(c(=O)n2[nH]1)CNC3=O.
What is the InChIKey of N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide?
The InChIKey is YEPHBEAHUHXDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-15(2)11(19)6-3-7-13-8-5(4-12-9(8)17)10(18)16(7)14-6/h3,14H,4H2,1-2H3,(H,12,17).
What are the key properties of N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide?
N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide has a molecular weight of 261.24 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide is sourced from PubChem (CID 175044445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).