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

C13H18N6 — CID 126459147

IUPAC2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESCN1CCN(c2c3c(nc4nncn24)CCC3)CC1
InChIInChI=1S/C13H18N6/c1-17-5-7-18(8-6-17)12-10-3-2-4-11(10)15-13-16-14-9-19(12)13/h9H,2-8H2,1H3
InChIKeyHGNXAAGNKCDXDF-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.36
Rot. Bonds1

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

2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (PubChem CID 126459147) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
PubChem CID126459147
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESCN1CCN(c2c3c(nc4nncn24)CCC3)CC1
InChIInChI=1S/C13H18N6/c1-17-5-7-18(8-6-17)12-10-3-2-4-11(10)15-13-16-14-9-19(12)13/h9H,2-8H2,1H3
InChIKeyHGNXAAGNKCDXDF-UHFFFAOYSA-N
XLogP0.36
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylpiperazin-1-yl)-1,8,10,11-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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 43816924
11-methyl-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82270592
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-11-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 50800561
CID 178171911
CID 178171911
2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 4873914
2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 50800634
9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 22579247
1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2-thione
CID 2814597
2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole
CID 83863227
1-[4-[10-(4-fluorophenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]piperazin-1-yl]ethanone
CID 16668280
tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)piperazine-1-carboxylate
CID 46096757
9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 50800639

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (CID 126459147) is 2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is CN1CCN(c2c3c(nc4nncn24)CCC3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The InChIKey is HGNXAAGNKCDXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-17-5-7-18(8-6-17)12-10-3-2-4-11(10)15-13-16-14-9-19(12)13/h9H,2-8H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene has a molecular weight of 258.33 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is sourced from PubChem (CID 126459147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).