1H-triazolo[5,1-c][1,4]benzodiazepine

C10H8N4 — CID 151730018

IUPAC1H-triazolo[5,1-c][1,4]benzodiazepine
SMILESC1=NNN2C=c3ccccc3=NC=C12
InChIInChI=1S/C10H8N4/c1-2-4-10-8(3-1)7-14-9(5-11-10)6-12-13-14/h1-7,13H
InChIKeyRKJGFHGUMFXDDX-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.29
Rot. Bonds

About 1H-triazolo[5,1-c][1,4]benzodiazepine

1H-triazolo[5,1-c][1,4]benzodiazepine (PubChem CID 151730018) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1H-triazolo[5,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name1H-triazolo[5,1-c][1,4]benzodiazepine
PubChem CID151730018
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name1H-triazolo[5,1-c][1,4]benzodiazepine
SMILESC1=NNN2C=c3ccccc3=NC=C12
InChIInChI=1S/C10H8N4/c1-2-4-10-8(3-1)7-14-9(5-11-10)6-12-13-14/h1-7,13H
InChIKeyRKJGFHGUMFXDDX-UHFFFAOYSA-N
XLogP-0.29
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-triazolo[5,1-c][1,4]benzodiazepine?
The IUPAC name of 1H-triazolo[5,1-c][1,4]benzodiazepine (CID 151730018) is 1H-triazolo[5,1-c][1,4]benzodiazepine.
What is the SMILES notation for 1H-triazolo[5,1-c][1,4]benzodiazepine?
The canonical SMILES for 1H-triazolo[5,1-c][1,4]benzodiazepine is C1=NNN2C=c3ccccc3=NC=C12.
What is the InChIKey of 1H-triazolo[5,1-c][1,4]benzodiazepine?
The InChIKey is RKJGFHGUMFXDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-4-10-8(3-1)7-14-9(5-11-10)6-12-13-14/h1-7,13H.
What are the key properties of 1H-triazolo[5,1-c][1,4]benzodiazepine?
1H-triazolo[5,1-c][1,4]benzodiazepine has a molecular weight of 184.20 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-triazolo[5,1-c][1,4]benzodiazepine is sourced from PubChem (CID 151730018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).