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

C20H26N4 — CID 167645890

IUPAC11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESC1=C(CN2CCCC2)c2c(ncc3nc(C4CCCCC4)cn23)C1
InChIInChI=1S/C20H26N4/c1-2-6-15(7-3-1)18-14-24-19(22-18)12-21-17-9-8-16(20(17)24)13-23-10-4-5-11-23/h8,12,14-15H,1-7,9-11,13H2
InChIKeyGQOYMZQACFGAJV-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.81
Rot. Bonds3

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

11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 167645890) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID167645890
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESC1=C(CN2CCCC2)c2c(ncc3nc(C4CCCCC4)cn23)C1
InChIInChI=1S/C20H26N4/c1-2-6-15(7-3-1)18-14-24-19(22-18)12-21-17-9-8-16(20(17)24)13-23-10-4-5-11-23/h8,12,14-15H,1-7,9-11,13H2
InChIKeyGQOYMZQACFGAJV-UHFFFAOYSA-N
XLogP3.81
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 167645890) is 11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-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-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is C1=C(CN2CCCC2)c2c(ncc3nc(C4CCCCC4)cn23)C1.
What is the InChIKey of 11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is GQOYMZQACFGAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-2-6-15(7-3-1)18-14-24-19(22-18)12-21-17-9-8-16(20(17)24)13-23-10-4-5-11-23/h8,12,14-15H,1-7,9-11,13H2.
What are the key properties of 11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 322.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohexyl-3-(pyrrolidin-1-ylmethyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 167645890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).