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

C10H8N4 — CID 57468574

IUPAC10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SMILESC1=CC2=CN=Cc3nncn3C2C=C1
InChIInChI=1S/C10H8N4/c1-2-4-9-8(3-1)5-11-6-10-13-12-7-14(9)10/h1-7,9H
InChIKeyZRYIJQDWAYDAEJ-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.26
Rot. Bonds

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

10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine (PubChem CID 57468574) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine.

Molecular Properties

Compound Name10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
PubChem CID57468574
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SMILESC1=CC2=CN=Cc3nncn3C2C=C1
InChIInChI=1S/C10H8N4/c1-2-4-9-8(3-1)5-11-6-10-13-12-7-14(9)10/h1-7,9H
InChIKeyZRYIJQDWAYDAEJ-UHFFFAOYSA-N
XLogP1.26
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.26
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?
The IUPAC name of 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine (CID 57468574) is 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine.
What is the SMILES notation for 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine?
The canonical SMILES for 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine is C1=CC2=CN=Cc3nncn3C2C=C1.
What is the InChIKey of 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine?
The InChIKey is ZRYIJQDWAYDAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-4-9-8(3-1)5-11-6-10-13-12-7-14(9)10/h1-7,9H.
What are the key properties of 10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine?
10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine has a molecular weight of 184.20 g/mol, XLogP of 1.26, 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 is sourced from PubChem (CID 57468574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).