11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

C12H14N4O2 — CID 177152221

IUPAC11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESCNc1cn2c(=O)c3c(nc2c(C)n1)COCC3
InChIInChI=1S/C12H14N4O2/c1-7-11-15-9-6-18-4-3-8(9)12(17)16(11)5-10(13-2)14-7/h5,13H,3-4,6H2,1-2H3
InChIKeyDVOKVUSODJLWGZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.51
Rot. Bonds1

About 11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (PubChem CID 177152221) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.

Molecular Properties

Compound Name11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
PubChem CID177152221
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESCNc1cn2c(=O)c3c(nc2c(C)n1)COCC3
InChIInChI=1S/C12H14N4O2/c1-7-11-15-9-6-18-4-3-8(9)12(17)16(11)5-10(13-2)14-7/h5,13H,3-4,6H2,1-2H3
InChIKeyDVOKVUSODJLWGZ-UHFFFAOYSA-N
XLogP0.51
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one with MolForge

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Related Compounds

But-2-yne;ethane;11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 177152220
12,13-Dimethyl-6-oxa-1,9,11-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 178171863
2-(Methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136693529
2-(2-Aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136693535
2-[2-(Methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136699505
2-[3-(Methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136699506
2-[2-(Methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136866597
2-(2-Aminopropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136866598
2-[1-(Methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136866599
2-(3-Aminopropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136866604

Frequently Asked Questions

What is the IUPAC name of 11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The IUPAC name of 11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (CID 177152221) is 11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.
What is the SMILES notation for 11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The canonical SMILES for 11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is CNc1cn2c(=O)c3c(nc2c(C)n1)COCC3.
What is the InChIKey of 11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The InChIKey is DVOKVUSODJLWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-11-15-9-6-18-4-3-8(9)12(17)16(11)5-10(13-2)14-7/h5,13H,3-4,6H2,1-2H3.
What are the key properties of 11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one has a molecular weight of 246.27 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-13-(methylamino)-6-oxa-1,9,12-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is sourced from PubChem (CID 177152221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).