2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine

C15H17ClN6 — CID 23317327

IUPAC2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Cc3nc(Cl)nn32)CC1
InChIInChI=1S/C15H17ClN6/c1-20-6-8-21(9-7-20)15-17-12-5-3-2-4-11(12)10-13-18-14(16)19-22(13)15/h2-5H,6-10H2,1H3
InChIKeyXBVTWSLQCDTECE-UHFFFAOYSA-N
MW316.80 g/mol
LogP1.62
Rot. Bonds

About 2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine

2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine (PubChem CID 23317327) has the molecular formula C15H17ClN6 and a molecular weight of 316.80 g/mol. Its IUPAC name is 2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine.

Molecular Properties

Compound Name2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
PubChem CID23317327
Molecular FormulaC15H17ClN6
Molecular Weight316.80 g/mol
Exact Mass316.12
IUPAC Name2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Cc3nc(Cl)nn32)CC1
InChIInChI=1S/C15H17ClN6/c1-20-6-8-21(9-7-20)15-17-12-5-3-2-4-11(12)10-13-18-14(16)19-22(13)15/h2-5H,6-10H2,1H3
InChIKeyXBVTWSLQCDTECE-UHFFFAOYSA-N
XLogP1.62
TPSA49.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine with MolForge

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Related Compounds

2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[2,3-b][1]benzazepine
CID 139314589
3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline
CID 68554630
3-ethenyl-2-(4-methylpiperazin-1-yl)-4,5-dihydro-1-benzazepin-4-ide;yttrium
CID 59277509
4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine
CID 13423637
4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine
CID 71054969
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine;hydrochloride
CID 138399673
ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
CID 91030329
ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
CID 161039230
4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline
CID 146019866
3-chloro-5-methyl-1-phenyl-1,2,4-triazole
CID 30032671
benzene;ethane;2-phenyl-3H-indole
CID 91573421
1-chloro-4-(4-methylpiperazin-1-yl)thieno[3,4-b][1,5]benzoxazepine
CID 12703423

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine?
The IUPAC name of 2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine (CID 23317327) is 2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine.
What is the SMILES notation for 2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine?
The canonical SMILES for 2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine is CN1CCN(C2=Nc3ccccc3Cc3nc(Cl)nn32)CC1.
What is the InChIKey of 2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine?
The InChIKey is XBVTWSLQCDTECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6/c1-20-6-8-21(9-7-20)15-17-12-5-3-2-4-11(12)10-13-18-14(16)19-22(13)15/h2-5H,6-10H2,1H3.
What are the key properties of 2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine?
2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine has a molecular weight of 316.80 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine is sourced from PubChem (CID 23317327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).