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

C15H18N6 — CID 3071559

IUPAC5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3-n3cnnc3C2)CC1
InChIInChI=1S/C15H18N6/c1-19-6-8-20(9-7-19)14-10-15-18-16-11-21(15)13-5-3-2-4-12(13)17-14/h2-5,11H,6-10H2,1H3
InChIKeyGUHLWOXHNSWUMK-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.10
Rot. Bonds

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

5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine (PubChem CID 3071559) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
PubChem CID3071559
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3-n3cnnc3C2)CC1
InChIInChI=1S/C15H18N6/c1-19-6-8-20(9-7-19)14-10-15-18-16-11-21(15)13-5-3-2-4-12(13)17-14/h2-5,11H,6-10H2,1H3
InChIKeyGUHLWOXHNSWUMK-UHFFFAOYSA-N
XLogP1.10
TPSA49.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine (CID 3071559) is 5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine is CN1CCN(C2=Nc3ccccc3-n3cnnc3C2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine?
The InChIKey is GUHLWOXHNSWUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-19-6-8-20(9-7-19)14-10-15-18-16-11-21(15)13-5-3-2-4-12(13)17-14/h2-5,11H,6-10H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine?
5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine has a molecular weight of 282.35 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine is sourced from PubChem (CID 3071559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).