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

C15H19N7 — CID 135797581

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Nc3nn(C)nc32)CC1
InChIInChI=1S/C15H19N7/c1-20-7-9-22(10-8-20)15-13-14(19-21(2)18-13)16-11-5-3-4-6-12(11)17-15/h3-6H,7-10H2,1-2H3,(H,16,19)
InChIKeyKIIQPBFDXWQINY-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.20
Rot. Bonds

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

2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine (PubChem CID 135797581) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine
PubChem CID135797581
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Nc3nn(C)nc32)CC1
InChIInChI=1S/C15H19N7/c1-20-7-9-22(10-8-20)15-13-14(19-21(2)18-13)16-11-5-3-4-6-12(11)17-15/h3-6H,7-10H2,1-2H3,(H,16,19)
InChIKeyKIIQPBFDXWQINY-UHFFFAOYSA-N
XLogP1.20
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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

Related Compounds

2-Ethyl-7-fluoro-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-1,2,3,4,9-pentaaza-benzo[f]azulene
CID 135797568
7-Fluoro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-1,2,3,4,9-pentaaza-benzo[f]azulene
CID 135797569
2-Methyl-10-(4-methyl-piperazin-1-yl)-7-trifluoromethyl-2,4-dihydro-1,2,3,4,9-pentaaza-benzo[f]azulene
CID 135797572
6,7-Dichloro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-1,2,3,4,9-pentaaza-benzo[f]azulene
CID 135797575
7-Bromo-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-1,2,3,4,9-pentaaza-benzo[f]azulene
CID 135797576
7-Chloro-2-ethyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-1,2,3,4,9-pentaaza-benzo[f]azulene
CID 135797577
7-Chloro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-1,2,3,4,9-pentaaza-benzo[f]azulene
CID 135797578
2-Methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759093
7-Fluoro-1,2-dimethyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759111
1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine
CID 22029039
N-phenyl-6-(1-pyrrolidinyl)-3-pyridazinamine
CID 6459576
3-Methyl-10-(4-methyl-piperazin-1-yl)-3,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 136026494

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine (CID 135797581) is 2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine is CN1CCN(C2=Nc3ccccc3Nc3nn(C)nc32)CC1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine?
The InChIKey is KIIQPBFDXWQINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-20-7-9-22(10-8-20)15-13-14(19-21(2)18-13)16-11-5-3-4-6-12(11)17-15/h3-6H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine?
2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine has a molecular weight of 297.37 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-10H-triazolo[4,5-b][1,5]benzodiazepine is sourced from PubChem (CID 135797581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).