1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine

C15H16N6 — CID 71926075

IUPAC1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine
SMILESCN1CCN(c2nccn3cnnc23)Cc2ccccc21
InChIInChI=1S/C15H16N6/c1-19-8-9-20(10-12-4-2-3-5-13(12)19)14-15-18-17-11-21(15)7-6-16-14/h2-7,11H,8-10H2,1H3
InChIKeyDODWEEFAKHGENU-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.58
Rot. Bonds1

About 1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine

1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine (PubChem CID 71926075) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine.

Molecular Properties

Compound Name1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine
PubChem CID71926075
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine
SMILESCN1CCN(c2nccn3cnnc23)Cc2ccccc21
InChIInChI=1S/C15H16N6/c1-19-8-9-20(10-12-4-2-3-5-13(12)19)14-15-18-17-11-21(15)7-6-16-14/h2-7,11H,8-10H2,1H3
InChIKeyDODWEEFAKHGENU-UHFFFAOYSA-N
XLogP1.58
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine?
The IUPAC name of 1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine (CID 71926075) is 1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine.
What is the SMILES notation for 1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine?
The canonical SMILES for 1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine is CN1CCN(c2nccn3cnnc23)Cc2ccccc21.
What is the InChIKey of 1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine?
The InChIKey is DODWEEFAKHGENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-19-8-9-20(10-12-4-2-3-5-13(12)19)14-15-18-17-11-21(15)7-6-16-14/h2-7,11H,8-10H2,1H3.
What are the key properties of 1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine?
1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine has a molecular weight of 280.34 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine is sourced from PubChem (CID 71926075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).