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

C21H25N5 — CID 10132446

IUPAC5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
SMILESCCc1nn(C2CCCC2)c2c1CCn1c(Cc3ccccc3)nnc1-2
InChIInChI=1S/C21H25N5/c1-2-18-17-12-13-25-19(14-15-8-4-3-5-9-15)22-23-21(25)20(17)26(24-18)16-10-6-7-11-16/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeySYLAYNHYQLQFKX-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.97
Rot. Bonds4

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

5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene (PubChem CID 10132446) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene.

Molecular Properties

Compound Name5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
PubChem CID10132446
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
SMILESCCc1nn(C2CCCC2)c2c1CCn1c(Cc3ccccc3)nnc1-2
InChIInChI=1S/C21H25N5/c1-2-18-17-12-13-25-19(14-15-8-4-3-5-9-15)22-23-21(25)20(17)26(24-18)16-10-6-7-11-16/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeySYLAYNHYQLQFKX-UHFFFAOYSA-N
XLogP3.97
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 142188262
(E)-but-2-ene;5-[(E)-but-1-enyl]-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene;ethane
CID 142188291
1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 71179514
3-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 657668
3-benzyl-7-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 162636365
3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151561
2-[4-[(2-cyclohexyl-5-ethyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid
CID 19750709
[1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol
CID 18430749
(2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide
CID 58188947
4-(3-benzyl-5-ethoxy-4-phenylpyrazol-1-yl)-1-methylazepane
CID 110188382
(8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 138980625
(1-cyclopentyl-3-ethylindazol-6-yl)methanediol
CID 57438282

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The IUPAC name of 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) is 5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene.
What is the SMILES notation for 5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The canonical SMILES for 5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene is CCc1nn(C2CCCC2)c2c1CCn1c(Cc3ccccc3)nnc1-2.
What is the InChIKey of 5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The InChIKey is SYLAYNHYQLQFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-2-18-17-12-13-25-19(14-15-8-4-3-5-9-15)22-23-21(25)20(17)26(24-18)16-10-6-7-11-16/h3-5,8-9,16H,2,6-7,10-14H2,1H3.
What are the key properties of 5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene has a molecular weight of 347.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene is sourced from PubChem (CID 10132446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).