3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C13H12N2O — CID 158374542

IUPAC3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1nc2oc3ncccc3c2c(C)c1C
InChIInChI=1S/C13H12N2O/c1-7-8(2)11-10-5-4-6-14-12(10)16-13(11)15-9(7)3/h4-6H,1-3H3
InChIKeyWCYDLLNPEOWLLV-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.30
Rot. Bonds

About 3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 158374542) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID158374542
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1nc2oc3ncccc3c2c(C)c1C
InChIInChI=1S/C13H12N2O/c1-7-8(2)11-10-5-4-6-14-12(10)16-13(11)15-9(7)3/h4-6H,1-3H3
InChIKeyWCYDLLNPEOWLLV-UHFFFAOYSA-N
XLogP3.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;tetrakis(2,3,4,5,6,7,8,9-octamethyl-1,10-phenanthroline);bis(ruthenium(2+))
CID 45256437
2-ethyl-3-methylfuro[2,3-b]pyridine
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ethane;2-ethyl-3-methylfuro[2,3-b]pyridine
CID 142876964
8-methyl-9-(2-methylisoquinolin-2-ium-3-yl)-11-oxa-13-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 140827523
3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline
CID 157282596
5-ethyl-[1]benzofuro[2,3-b]pyridine
CID 143904275
5-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 139383057
7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine
CID 153286236
1-(3-methylfuro[2,3-b]pyridin-2-yl)ethenamine
CID 170031220
[1]benzofuro[2,3-b]pyridin-5-amine
CID 118860660
6-methyl-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 91159270
3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 10680122

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 158374542) is 3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1nc2oc3ncccc3c2c(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is WCYDLLNPEOWLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-7-8(2)11-10-5-4-6-14-12(10)16-13(11)15-9(7)3/h4-6H,1-3H3.
What are the key properties of 3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 212.25 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 158374542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).