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

C25H24N4O — CID 168958103

IUPAC7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(-c2nnc3n2CCN(C(c2ccccc2)c2ccccc2)C3)cc1
InChIInChI=1S/C25H24N4O/c1-30-22-14-12-21(13-15-22)25-27-26-23-18-28(16-17-29(23)25)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,24H,16-18H2,1H3
InChIKeyNTPRBDZJOPJLPB-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.56
Rot. Bonds5

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

7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 168958103) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID168958103
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(-c2nnc3n2CCN(C(c2ccccc2)c2ccccc2)C3)cc1
InChIInChI=1S/C25H24N4O/c1-30-22-14-12-21(13-15-22)25-27-26-23-18-28(16-17-29(23)25)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,24H,16-18H2,1H3
InChIKeyNTPRBDZJOPJLPB-UHFFFAOYSA-N
XLogP4.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 168958103) is 7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is COc1ccc(-c2nnc3n2CCN(C(c2ccccc2)c2ccccc2)C3)cc1.
What is the InChIKey of 7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NTPRBDZJOPJLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-30-22-14-12-21(13-15-22)25-27-26-23-18-28(16-17-29(23)25)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,24H,16-18H2,1H3.
What are the key properties of 7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 396.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 168958103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).