12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene

C13H14ClN7 — CID 71547850

IUPAC12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
SMILESCc1nc2c3cc(Cl)cnc3nc(N3CCNCC3)n2n1
InChIInChI=1S/C13H14ClN7/c1-8-17-12-10-6-9(14)7-16-11(10)18-13(21(12)19-8)20-4-2-15-3-5-20/h6-7,15H,2-5H2,1H3
InChIKeyFSZACHAIFINHRW-UHFFFAOYSA-N
MW303.76 g/mol
LogP1.04
Rot. Bonds1

About 12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene

12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene (PubChem CID 71547850) has the molecular formula C13H14ClN7 and a molecular weight of 303.76 g/mol. Its IUPAC name is 12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene.

Molecular Properties

Compound Name12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
PubChem CID71547850
Molecular FormulaC13H14ClN7
Molecular Weight303.76 g/mol
Exact Mass303.10
IUPAC Name12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
SMILESCc1nc2c3cc(Cl)cnc3nc(N3CCNCC3)n2n1
InChIInChI=1S/C13H14ClN7/c1-8-17-12-10-6-9(14)7-16-11(10)18-13(21(12)19-8)20-4-2-15-3-5-20/h6-7,15H,2-5H2,1H3
InChIKeyFSZACHAIFINHRW-UHFFFAOYSA-N
XLogP1.04
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene 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 12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene?
The IUPAC name of 12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene (CID 71547850) is 12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene.
What is the SMILES notation for 12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene?
The canonical SMILES for 12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene is Cc1nc2c3cc(Cl)cnc3nc(N3CCNCC3)n2n1.
What is the InChIKey of 12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene?
The InChIKey is FSZACHAIFINHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN7/c1-8-17-12-10-6-9(14)7-16-11(10)18-13(21(12)19-8)20-4-2-15-3-5-20/h6-7,15H,2-5H2,1H3.
What are the key properties of 12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene?
12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene has a molecular weight of 303.76 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chloro-4-methyl-7-piperazin-1-yl-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene is sourced from PubChem (CID 71547850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).