7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine

C15H17Cl2N7 — CID 135797575

IUPAC7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3cc(Cl)c(Cl)cc3Nc3nn(C)nc32)CC1
InChIInChI=1S/C15H17Cl2N7/c1-22-3-5-24(6-4-22)15-13-14(21-23(2)20-13)18-11-7-9(16)10(17)8-12(11)19-15/h7-8H,3-6H2,1-2H3,(H,18,21)
InChIKeyRFBJFKSGKFSZCA-UHFFFAOYSA-N
MW366.26 g/mol
LogP2.50
Rot. Bonds

About 7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine

7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine (PubChem CID 135797575) has the molecular formula C15H17Cl2N7 and a molecular weight of 366.26 g/mol. Its IUPAC name is 7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine.

Molecular Properties

Compound Name7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine
PubChem CID135797575
Molecular FormulaC15H17Cl2N7
Molecular Weight366.26 g/mol
Exact Mass365.09
IUPAC Name7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3cc(Cl)c(Cl)cc3Nc3nn(C)nc32)CC1
InChIInChI=1S/C15H17Cl2N7/c1-22-3-5-24(6-4-22)15-13-14(21-23(2)20-13)18-11-7-9(16)10(17)8-12(11)19-15/h7-8H,3-6H2,1-2H3,(H,18,21)
InChIKeyRFBJFKSGKFSZCA-UHFFFAOYSA-N
XLogP2.50
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine 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 7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine?
The IUPAC name of 7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine (CID 135797575) is 7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine.
What is the SMILES notation for 7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine?
The canonical SMILES for 7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine is CN1CCN(C2=Nc3cc(Cl)c(Cl)cc3Nc3nn(C)nc32)CC1.
What is the InChIKey of 7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine?
The InChIKey is RFBJFKSGKFSZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N7/c1-22-3-5-24(6-4-22)15-13-14(21-23(2)20-13)18-11-7-9(16)10(17)8-12(11)19-15/h7-8H,3-6H2,1-2H3,(H,18,21).
What are the key properties of 7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine?
7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine has a molecular weight of 366.26 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine is sourced from PubChem (CID 135797575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).