2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine

C20H23F2N5O2 — CID 123257655

IUPAC2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine
SMILESCCCc1nc(OCC)c(-c2cccc(OC(F)F)c2)nc1Cn1cnc(C)n1
InChIInChI=1S/C20H23F2N5O2/c1-4-7-16-17(11-27-12-23-13(3)26-27)24-18(19(25-16)28-5-2)14-8-6-9-15(10-14)29-20(21)22/h6,8-10,12,20H,4-5,7,11H2,1-3H3
InChIKeyKWRYCPQOMNIDLT-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.04
Rot. Bonds9

About 2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine

2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine (PubChem CID 123257655) has the molecular formula C20H23F2N5O2 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine
PubChem CID123257655
Molecular FormulaC20H23F2N5O2
Molecular Weight403.43 g/mol
Exact Mass403.18
IUPAC Name2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine
SMILESCCCc1nc(OCC)c(-c2cccc(OC(F)F)c2)nc1Cn1cnc(C)n1
InChIInChI=1S/C20H23F2N5O2/c1-4-7-16-17(11-27-12-23-13(3)26-27)24-18(19(25-16)28-5-2)14-8-6-9-15(10-14)29-20(21)22/h6,8-10,12,20H,4-5,7,11H2,1-3H3
InChIKeyKWRYCPQOMNIDLT-UHFFFAOYSA-N
XLogP4.04
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-Methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine
CID 11323555
2-(2-ethylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
CID 45269934
2-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)-5-(o-tolyloxy)pyrazine
CID 45271574
2-(3-fluoro-2-methylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
CID 45271580
2-(4-fluoro-2-methylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
CID 45273367
6-((tetrahydro-2H-pyran-4-yl)methoxy)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazine
CID 66598032
2-Methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol
CID 66598091
5-(1-(difluoromethyl)-1H-1,2,3-triazol-5-yl)-4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidine
CID 90182239
5-(2-(difluoromethyl)-2H-tetrazol-5-yl)-4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidine
CID 90182274
6-(3-Methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 162753469
6-(2-Methoxyethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 57651183
2-[4-(2-Methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-[3-(trifluoromethoxy)phenyl]pyridine
CID 134807626

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine?
The IUPAC name of 2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine (CID 123257655) is 2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine?
The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine is CCCc1nc(OCC)c(-c2cccc(OC(F)F)c2)nc1Cn1cnc(C)n1.
What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine?
The InChIKey is KWRYCPQOMNIDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O2/c1-4-7-16-17(11-27-12-23-13(3)26-27)24-18(19(25-16)28-5-2)14-8-6-9-15(10-14)29-20(21)22/h6,8-10,12,20H,4-5,7,11H2,1-3H3.
What are the key properties of 2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine?
2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine has a molecular weight of 403.43 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine is sourced from PubChem (CID 123257655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).