10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride

C10H9ClN4 — CID 67370161

IUPAC10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride
SMILESC1=CC2=CN=Cc3nncn3C2C=C1.Cl
InChIInChI=1S/C10H8N4.ClH/c1-2-4-9-8(3-1)5-11-6-10-13-12-7-14(9)10;/h1-7,9H;1H
InChIKeyAEKREIHHLVLFDZ-UHFFFAOYSA-N
MW220.66 g/mol
LogP1.68
Rot. Bonds

About 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride

10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride (PubChem CID 67370161) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride.

Molecular Properties

Compound Name10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride
PubChem CID67370161
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride
SMILESC1=CC2=CN=Cc3nncn3C2C=C1.Cl
InChIInChI=1S/C10H8N4.ClH/c1-2-4-9-8(3-1)5-11-6-10-13-12-7-14(9)10;/h1-7,9H;1H
InChIKeyAEKREIHHLVLFDZ-UHFFFAOYSA-N
XLogP1.68
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride?
The IUPAC name of 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride (CID 67370161) is 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride.
What is the SMILES notation for 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride?
The canonical SMILES for 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride is C1=CC2=CN=Cc3nncn3C2C=C1.Cl.
What is the InChIKey of 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride?
The InChIKey is AEKREIHHLVLFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4.ClH/c1-2-4-9-8(3-1)5-11-6-10-13-12-7-14(9)10;/h1-7,9H;1H.
What are the key properties of 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride?
10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride has a molecular weight of 220.66 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride is sourced from PubChem (CID 67370161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).