1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine

C26H23N5O4 — CID 25268580

IUPAC1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
SMILESCOc1cccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4ccccc4)nnc32)c1
InChIInChI=1S/C26H23N5O4/c1-32-19-12-8-11-18(15-19)31-26-23(27-25(28-29-26)16-9-6-5-7-10-16)22(30-31)17-13-20(33-2)24(35-4)21(14-17)34-3/h5-15H,1-4H3
InChIKeyVHSJDJZKJVZNEK-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.58
Rot. Bonds7

About 1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine

1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine (PubChem CID 25268580) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
PubChem CID25268580
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
SMILESCOc1cccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4ccccc4)nnc32)c1
InChIInChI=1S/C26H23N5O4/c1-32-19-12-8-11-18(15-19)31-26-23(27-25(28-29-26)16-9-6-5-7-10-16)22(30-31)17-13-20(33-2)24(35-4)21(14-17)34-3/h5-15H,1-4H3
InChIKeyVHSJDJZKJVZNEK-UHFFFAOYSA-N
XLogP4.58
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine?
The IUPAC name of 1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine (CID 25268580) is 1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine?
The canonical SMILES for 1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine is COc1cccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4ccccc4)nnc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine?
The InChIKey is VHSJDJZKJVZNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-32-19-12-8-11-18(15-19)31-26-23(27-25(28-29-26)16-9-6-5-7-10-16)22(30-31)17-13-20(33-2)24(35-4)21(14-17)34-3/h5-15H,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine?
1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine has a molecular weight of 469.50 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine is sourced from PubChem (CID 25268580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).