N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

C12H14N4O2 — CID 71034442

IUPACN-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
SMILESCCNC(=O)c1c(C)oc2c1C1=NCCN1C=N2
InChIInChI=1S/C12H14N4O2/c1-3-13-11(17)8-7(2)18-12-9(8)10-14-4-5-16(10)6-15-12/h6H,3-5H2,1-2H3,(H,13,17)
InChIKeyLNKWMNKSWAFGJD-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.07
Rot. Bonds2

About N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (PubChem CID 71034442) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.

Molecular Properties

Compound NameN-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
PubChem CID71034442
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
SMILESCCNC(=O)c1c(C)oc2c1C1=NCCN1C=N2
InChIInChI=1S/C12H14N4O2/c1-3-13-11(17)8-7(2)18-12-9(8)10-14-4-5-16(10)6-15-12/h6H,3-5H2,1-2H3,(H,13,17)
InChIKeyLNKWMNKSWAFGJD-UHFFFAOYSA-N
XLogP1.07
TPSA70.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The IUPAC name of N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (CID 71034442) is N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.
What is the SMILES notation for N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The canonical SMILES for N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is CCNC(=O)c1c(C)oc2c1C1=NCCN1C=N2.
What is the InChIKey of N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The InChIKey is LNKWMNKSWAFGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-13-11(17)8-7(2)18-12-9(8)10-14-4-5-16(10)6-15-12/h6H,3-5H2,1-2H3,(H,13,17).
What are the key properties of N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is sourced from PubChem (CID 71034442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).