2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one

C26H24N4O3 — CID 17121551

IUPAC2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
SMILESCOCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)CC(/C=C/c1ccccc1)C3
InChIInChI=1S/C26H24N4O3/c1-32-16-20-24(19-10-6-7-11-23(19)33-2)26-28-27-25-21(30(26)29-20)14-18(15-22(25)31)13-12-17-8-4-3-5-9-17/h3-13,18H,14-16H2,1-2H3/b13-12+
InChIKeyAXKHIWROFVUPMD-OUKQBFOZSA-N
MW440.50 g/mol
LogP4.40
Rot. Bonds6

About 2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one

2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one (PubChem CID 17121551) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one.

Molecular Properties

Compound Name2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
PubChem CID17121551
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
SMILESCOCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)CC(/C=C/c1ccccc1)C3
InChIInChI=1S/C26H24N4O3/c1-32-16-20-24(19-10-6-7-11-23(19)33-2)26-28-27-25-21(30(26)29-20)14-18(15-22(25)31)13-12-17-8-4-3-5-9-17/h3-13,18H,14-16H2,1-2H3/b13-12+
InChIKeyAXKHIWROFVUPMD-OUKQBFOZSA-N
XLogP4.40
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
The IUPAC name of 2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one (CID 17121551) is 2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one.
What is the SMILES notation for 2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
The canonical SMILES for 2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one is COCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)CC(/C=C/c1ccccc1)C3.
What is the InChIKey of 2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
The InChIKey is AXKHIWROFVUPMD-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-32-16-20-24(19-10-6-7-11-23(19)33-2)26-28-27-25-21(30(26)29-20)14-18(15-22(25)31)13-12-17-8-4-3-5-9-17/h3-13,18H,14-16H2,1-2H3/b13-12+.
What are the key properties of 2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one has a molecular weight of 440.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-(2-methoxyphenyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one is sourced from PubChem (CID 17121551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).