(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone

C13H12N2O3 — CID 62802669

IUPAC(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone
SMILESCOc1ccc(OC)c(C(=O)c2cnccn2)c1
InChIInChI=1S/C13H12N2O3/c1-17-9-3-4-12(18-2)10(7-9)13(16)11-8-14-5-6-15-11/h3-8H,1-2H3
InChIKeyUVZSFDQJPFAKRZ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.72
Rot. Bonds4

About (2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone

(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone (PubChem CID 62802669) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone
PubChem CID62802669
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone
SMILESCOc1ccc(OC)c(C(=O)c2cnccn2)c1
InChIInChI=1S/C13H12N2O3/c1-17-9-3-4-12(18-2)10(7-9)13(16)11-8-14-5-6-15-11/h3-8H,1-2H3
InChIKeyUVZSFDQJPFAKRZ-UHFFFAOYSA-N
XLogP1.72
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone
CID 105098338
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 33078253
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3914278
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(E)-1-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 6366746
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone
CID 116585796
(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 83956223
(3-methoxypyrazin-2-yl)-pyrazin-2-ylmethanone
CID 104514868
N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
CID 51317152
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone?
The IUPAC name of (2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone (CID 62802669) is (2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone is COc1ccc(OC)c(C(=O)c2cnccn2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone?
The InChIKey is UVZSFDQJPFAKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-9-3-4-12(18-2)10(7-9)13(16)11-8-14-5-6-15-11/h3-8H,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone?
(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone has a molecular weight of 244.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 62802669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).