5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine

C10H10N4 — CID 14639043

IUPAC5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine
SMILESc1ccc2c(c1)Cn1nncc1CN2
InChIInChI=1S/C10H10N4/c1-2-4-10-8(3-1)7-14-9(5-11-10)6-12-13-14/h1-4,6,11H,5,7H2
InChIKeyNMQROUTYOYSSRM-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.25
Rot. Bonds

About 5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine

5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine (PubChem CID 14639043) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine
PubChem CID14639043
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine
SMILESc1ccc2c(c1)Cn1nncc1CN2
InChIInChI=1S/C10H10N4/c1-2-4-10-8(3-1)7-14-9(5-11-10)6-12-13-14/h1-4,6,11H,5,7H2
InChIKeyNMQROUTYOYSSRM-UHFFFAOYSA-N
XLogP1.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine?
The IUPAC name of 5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine (CID 14639043) is 5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine.
What is the SMILES notation for 5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine?
The canonical SMILES for 5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine is c1ccc2c(c1)Cn1nncc1CN2.
What is the InChIKey of 5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine?
The InChIKey is NMQROUTYOYSSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-2-4-10-8(3-1)7-14-9(5-11-10)6-12-13-14/h1-4,6,11H,5,7H2.
What are the key properties of 5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine?
5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine has a molecular weight of 186.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine is sourced from PubChem (CID 14639043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).