ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene

C15H19N3 — CID 169265960

IUPACethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
SMILESCC.CC(C)c1ccn2c(c1)nc1ncccc12
InChIInChI=1S/C13H13N3.C2H6/c1-9(2)10-5-7-16-11-4-3-6-14-13(11)15-12(16)8-10;1-2/h3-9H,1-2H3;1-2H3
InChIKeyJIEBEBBQEJCANT-UHFFFAOYSA-N
MW241.34 g/mol
LogP4.03
Rot. Bonds1

About ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene

ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene (PubChem CID 169265960) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene.

Molecular Properties

Compound Nameethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
PubChem CID169265960
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Nameethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
SMILESCC.CC(C)c1ccn2c(c1)nc1ncccc12
InChIInChI=1S/C13H13N3.C2H6/c1-9(2)10-5-7-16-11-4-3-6-14-13(11)15-12(16)8-10;1-2/h3-9H,1-2H3;1-2H3
InChIKeyJIEBEBBQEJCANT-UHFFFAOYSA-N
XLogP4.03
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-propan-2-yl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
CID 169265895
7-propan-2-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 177470797
N-[(2R)-butan-2-yl]-2-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-ylsulfanyl)acetamide
CID 92870305
2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile
CID 112710780
ethane;2-methyl-3-propan-2-ylpyridine;vanadium
CID 143650392
6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine
CID 58517811
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-a]pyridine
CID 58198801
13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine
CID 155805048
ethane;6-propan-2-ylimidazo[1,2-a]pyridine
CID 145229849
ethane;imidazo[1,2-a]quinoline
CID 123314121
7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 59291756

Frequently Asked Questions

What is the IUPAC name of ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene?
The IUPAC name of ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene (CID 169265960) is ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene.
What is the SMILES notation for ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene?
The canonical SMILES for ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene is CC.CC(C)c1ccn2c(c1)nc1ncccc12.
What is the InChIKey of ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene?
The InChIKey is JIEBEBBQEJCANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3.C2H6/c1-9(2)10-5-7-16-11-4-3-6-14-13(11)15-12(16)8-10;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene?
ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene has a molecular weight of 241.34 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene is sourced from PubChem (CID 169265960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).