1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one

C17H18N4O2 — CID 13011546

IUPAC1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one
SMILESCCC(=O)c1nnc2cc(-c3ccc(OC)cc3)nn2c1CC
InChIInChI=1S/C17H18N4O2/c1-4-14-17(15(22)5-2)19-18-16-10-13(20-21(14)16)11-6-8-12(23-3)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyGTYYRTWSCPYNNJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.95
Rot. Bonds5

About 1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one

1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one (PubChem CID 13011546) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one
PubChem CID13011546
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one
SMILESCCC(=O)c1nnc2cc(-c3ccc(OC)cc3)nn2c1CC
InChIInChI=1S/C17H18N4O2/c1-4-14-17(15(22)5-2)19-18-16-10-13(20-21(14)16)11-6-8-12(23-3)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyGTYYRTWSCPYNNJ-UHFFFAOYSA-N
XLogP2.95
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one?
The IUPAC name of 1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one (CID 13011546) is 1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one.
What is the SMILES notation for 1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one?
The canonical SMILES for 1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one is CCC(=O)c1nnc2cc(-c3ccc(OC)cc3)nn2c1CC.
What is the InChIKey of 1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one?
The InChIKey is GTYYRTWSCPYNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-14-17(15(22)5-2)19-18-16-10-13(20-21(14)16)11-6-8-12(23-3)9-7-11/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one?
1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one has a molecular weight of 310.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one is sourced from PubChem (CID 13011546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).