11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C19H23N3O — CID 167623399

IUPAC11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESC1=C(C2CCOC2)c2c(ncc3nc(C4CCCCC4)cn23)C1
InChIInChI=1S/C19H23N3O/c1-2-4-13(5-3-1)17-11-22-18(21-17)10-20-16-7-6-15(19(16)22)14-8-9-23-12-14/h6,10-11,13-14H,1-5,7-9,12H2
InChIKeyHLGNZXLSVHVQPI-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.75
Rot. Bonds2

About 11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 167623399) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID167623399
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESC1=C(C2CCOC2)c2c(ncc3nc(C4CCCCC4)cn23)C1
InChIInChI=1S/C19H23N3O/c1-2-4-13(5-3-1)17-11-22-18(21-17)10-20-16-7-6-15(19(16)22)14-8-9-23-12-14/h6,10-11,13-14H,1-5,7-9,12H2
InChIKeyHLGNZXLSVHVQPI-UHFFFAOYSA-N
XLogP3.75
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene with MolForge

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Related Compounds

11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 167533915
11-[(2S,4S)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 167533918
1-(11-cyclohexyl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-3-one
CID 167605504
1-(11-cyclohexyl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one
CID 167605505
3-bromo-11-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[dimethyl(oxo)-λ6-sulfanylidene]-1-(oxan-4-yl)ethanone
CID 167588438
3-(11-cyclohexyl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 167636234
3-(3,6-dihydro-2H-pyran-4-yl)-11-(2-methylcyclohexyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 167547433
5-bromo-2-(oxolan-3-yl)imidazo[1,2-a]pyridine
CID 117131122
tert-butyl 4-[3-(4-methoxycarbonylcyclohexyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-11-yl]piperidine-1-carboxylate
CID 167549629
5-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridine
CID 117131634
4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one
CID 167588651
6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 113390441

Frequently Asked Questions

What is the IUPAC name of 11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 167623399) is 11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is C1=C(C2CCOC2)c2c(ncc3nc(C4CCCCC4)cn23)C1.
What is the InChIKey of 11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is HLGNZXLSVHVQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-4-13(5-3-1)17-11-22-18(21-17)10-20-16-7-6-15(19(16)22)14-8-9-23-12-14/h6,10-11,13-14H,1-5,7-9,12H2.
What are the key properties of 11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 309.41 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 167623399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).