2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

C19H22N6 — CID 50800634

IUPAC2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESc1ccc(CN2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1
InChIInChI=1S/C19H22N6/c1-2-5-15(6-3-1)13-23-9-11-24(12-10-23)18-16-7-4-8-17(16)22-19-20-14-21-25(18)19/h1-3,5-6,14H,4,7-13H2
InChIKeySISAUCDXEWRLJG-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.94
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (PubChem CID 50800634) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
PubChem CID50800634
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESc1ccc(CN2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1
InChIInChI=1S/C19H22N6/c1-2-5-15(6-3-1)13-23-9-11-24(12-10-23)18-16-7-4-8-17(16)22-19-20-14-21-25(18)19/h1-3,5-6,14H,4,7-13H2
InChIKeySISAUCDXEWRLJG-UHFFFAOYSA-N
XLogP1.94
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-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

5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
R121919
CID 9821250
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
(R)-Zinc-3573
CID 95882507
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
3MB-PP1
CID 24865390
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834454
PF-04981517
CID 71315139
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (CID 50800634) is 2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is c1ccc(CN2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The InChIKey is SISAUCDXEWRLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-5-15(6-3-1)13-23-9-11-24(12-10-23)18-16-7-4-8-17(16)22-19-20-14-21-25(18)19/h1-3,5-6,14H,4,7-13H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene has a molecular weight of 334.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is sourced from PubChem (CID 50800634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).