7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C18H17ClN4 — CID 134787636

IUPAC7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1ccc(-c2nnc3n2CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C18H17ClN4/c19-16-8-6-15(7-9-16)18-21-20-17-13-22(10-11-23(17)18)12-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyBDERBMKAOJJWRH-UHFFFAOYSA-N
MW324.82 g/mol
LogP3.61
Rot. Bonds3

About 7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134787636) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is 7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134787636
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC Name7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1ccc(-c2nnc3n2CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C18H17ClN4/c19-16-8-6-15(7-9-16)18-21-20-17-13-22(10-11-23(17)18)12-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyBDERBMKAOJJWRH-UHFFFAOYSA-N
XLogP3.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 9998483
3-(3-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 20724912
Sodium 4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate
CID 23697615
3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole
CID 804932
3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 1478277
3-Phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 1478281
3-(4-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 9975639
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-o-tolyl-4H-1,2,4-triazole
CID 10315044
3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]-4-methyl-4H-[1,2,4]triazole
CID 10340916
3-(1-(4-chlorophenyl)cyclobutyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole
CID 10359991
3,5-Bis(2-chlorophenyl)-4-methyl-1,2,4-triazole
CID 11659479
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-phenyl-4H-1,2,4-triazole
CID 20724899

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134787636) is 7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Clc1ccc(-c2nnc3n2CCN(Cc2ccccc2)C3)cc1.
What is the InChIKey of 7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BDERBMKAOJJWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c19-16-8-6-15(7-9-16)18-21-20-17-13-22(10-11-23(17)18)12-14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of 7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 324.82 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134787636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).