11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C15H16N4O2 — CID 53368823

IUPAC11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1cc2c(nc1C)oc1c(N3CCOCC3)ncnc12
InChIInChI=1S/C15H16N4O2/c1-9-7-11-12-13(21-15(11)18-10(9)2)14(17-8-16-12)19-3-5-20-6-4-19/h7-8H,3-6H2,1-2H3
InChIKeyKBZUSGIJLBEYIX-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.22
Rot. Bonds1

About 11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 53368823) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID53368823
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1cc2c(nc1C)oc1c(N3CCOCC3)ncnc12
InChIInChI=1S/C15H16N4O2/c1-9-7-11-12-13(21-15(11)18-10(9)2)14(17-8-16-12)19-3-5-20-6-4-19/h7-8H,3-6H2,1-2H3
InChIKeyKBZUSGIJLBEYIX-UHFFFAOYSA-N
XLogP2.22
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 175734829
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
4-[4-(2,3-dimethylphenyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4918092
4-[8-(2-methylpropyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl]morpholine
CID 1421223
4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 66617926
4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 146074348
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
4-[2-[(11,12-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)sulfanyl]ethyl]morpholine
CID 29111428
7-chloro-4-morpholin-4-ylquinazolin-8-ol
CID 10400664
4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619
4-(3,6-dimethyl-2-pyridinyl)morpholine
CID 135214290
4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine
CID 71407698

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 53368823) is 11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1cc2c(nc1C)oc1c(N3CCOCC3)ncnc12.
What is the InChIKey of 11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is KBZUSGIJLBEYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-7-11-12-13(21-15(11)18-10(9)2)14(17-8-16-12)19-3-5-20-6-4-19/h7-8H,3-6H2,1-2H3.
What are the key properties of 11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 284.32 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 53368823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).