4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine

C15H19N7S — CID 134201343

IUPAC4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine
SMILESCNc1ccc2c(n1)sc1c(N3CCNCC3)nc(NC)nc12
InChIInChI=1S/C15H19N7S/c1-16-10-4-3-9-11-12(23-14(9)19-10)13(21-15(17-2)20-11)22-7-5-18-6-8-22/h3-4,18H,5-8H2,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyWUZQSICYKJIGPG-UHFFFAOYSA-N
MW329.43 g/mol
LogP1.73
Rot. Bonds3

About 4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine

4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine (PubChem CID 134201343) has the molecular formula C15H19N7S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine.

Molecular Properties

Compound Name4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine
PubChem CID134201343
Molecular FormulaC15H19N7S
Molecular Weight329.43 g/mol
Exact Mass329.14
IUPAC Name4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine
SMILESCNc1ccc2c(n1)sc1c(N3CCNCC3)nc(NC)nc12
InChIInChI=1S/C15H19N7S/c1-16-10-4-3-9-11-12(23-14(9)19-10)13(21-15(17-2)20-11)22-7-5-18-6-8-22/h3-4,18H,5-8H2,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyWUZQSICYKJIGPG-UHFFFAOYSA-N
XLogP1.73
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine?
The IUPAC name of 4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine (CID 134201343) is 4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine.
What is the SMILES notation for 4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine?
The canonical SMILES for 4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine is CNc1ccc2c(n1)sc1c(N3CCNCC3)nc(NC)nc12.
What is the InChIKey of 4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine?
The InChIKey is WUZQSICYKJIGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7S/c1-16-10-4-3-9-11-12(23-14(9)19-10)13(21-15(17-2)20-11)22-7-5-18-6-8-22/h3-4,18H,5-8H2,1-2H3,(H,16,19)(H,17,20,21).
What are the key properties of 4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine?
4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine has a molecular weight of 329.43 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,11-N-dimethyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diamine is sourced from PubChem (CID 134201343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).