2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione

C20H17N5O3 — CID 1471573

IUPAC2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione
SMILESCOc1cccc(-n2nc(-c3ccnn3-c3ccccc3)c(=O)n(C)c2=O)c1
InChIInChI=1S/C20H17N5O3/c1-23-19(26)18(17-11-12-21-24(17)14-7-4-3-5-8-14)22-25(20(23)27)15-9-6-10-16(13-15)28-2/h3-13H,1-2H3
InChIKeyRGXNTEFVESEWKB-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.79
Rot. Bonds4

About 2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione

2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione (PubChem CID 1471573) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione
PubChem CID1471573
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione
SMILESCOc1cccc(-n2nc(-c3ccnn3-c3ccccc3)c(=O)n(C)c2=O)c1
InChIInChI=1S/C20H17N5O3/c1-23-19(26)18(17-11-12-21-24(17)14-7-4-3-5-8-14)22-25(20(23)27)15-9-6-10-16(13-15)28-2/h3-13H,1-2H3
InChIKeyRGXNTEFVESEWKB-UHFFFAOYSA-N
XLogP1.79
TPSA83.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione (CID 1471573) is 2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione is COc1cccc(-n2nc(-c3ccnn3-c3ccccc3)c(=O)n(C)c2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione?
The InChIKey is RGXNTEFVESEWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-23-19(26)18(17-11-12-21-24(17)14-7-4-3-5-8-14)22-25(20(23)27)15-9-6-10-16(13-15)28-2/h3-13H,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione?
2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione has a molecular weight of 375.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-methyl-6-(2-phenylpyrazol-3-yl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 1471573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).