12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene

C21H31N5 — CID 10269508

IUPAC12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
SMILESCCc1nn(C2CCCC2)c2c1CCn1c-2nnc1C1(C)CCCCC1
InChIInChI=1S/C21H31N5/c1-3-17-16-11-14-25-19(18(16)26(24-17)15-9-5-6-10-15)22-23-20(25)21(2)12-7-4-8-13-21/h15H,3-14H2,1-2H3
InChIKeyZASAGHDYYLZTKC-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.60
Rot. Bonds3

About 12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene

12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene (PubChem CID 10269508) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene.

Molecular Properties

Compound Name12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
PubChem CID10269508
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
SMILESCCc1nn(C2CCCC2)c2c1CCn1c-2nnc1C1(C)CCCCC1
InChIInChI=1S/C21H31N5/c1-3-17-16-11-14-25-19(18(16)26(24-17)15-9-5-6-10-15)22-23-20(25)21(2)12-7-4-8-13-21/h15H,3-14H2,1-2H3
InChIKeyZASAGHDYYLZTKC-UHFFFAOYSA-N
XLogP4.60
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-Cyclopentyl-10-ethyl-5-phenyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 9797729
9-cyclopentyl-5,6-dihydro-7-ethyl-3-(tert-butyl)-9H-pyrazolo-[3,4-c]-1,2,4-triazolo[4,3-alpha]pyridine
CID 9810934
5,12-Dicyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 9858486
12-Cyclopentyl-10-ethyl-5-propyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 9944133
5-Benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 10132446
12-Cyclopentyl-10-ethyl-5-methyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103076
12-Cyclopentyl-5,10-diethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103077
5-Butyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103078
12-Cyclopentyl-10-ethyl-5-(oxan-4-yl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103079
5-Cyclobutyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103086
5-Cyclohexyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103087
12-Cyclopentyl-10-ethyl-5-pentan-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103088

Frequently Asked Questions

What is the IUPAC name of 12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The IUPAC name of 12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene (CID 10269508) is 12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene.
What is the SMILES notation for 12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The canonical SMILES for 12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene is CCc1nn(C2CCCC2)c2c1CCn1c-2nnc1C1(C)CCCCC1.
What is the InChIKey of 12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The InChIKey is ZASAGHDYYLZTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-3-17-16-11-14-25-19(18(16)26(24-17)15-9-5-6-10-15)22-23-20(25)21(2)12-7-4-8-13-21/h15H,3-14H2,1-2H3.
What are the key properties of 12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene has a molecular weight of 353.51 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene is sourced from PubChem (CID 10269508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).