2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one

C20H23N5O3 — CID 22513303

IUPAC2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCOCC4)nc(C)n3n2)cc1
InChIInChI=1S/C20H23N5O3/c1-3-15-4-6-16(7-5-15)17-12-18-20(27)24(21-14(2)25(18)22-17)13-19(26)23-8-10-28-11-9-23/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyRUQFANFJEKUXBZ-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.29
Rot. Bonds4

About 2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one

2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 22513303) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID22513303
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCOCC4)nc(C)n3n2)cc1
InChIInChI=1S/C20H23N5O3/c1-3-15-4-6-16(7-5-15)17-12-18-20(27)24(21-14(2)25(18)22-17)13-19(26)23-8-10-28-11-9-23/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyRUQFANFJEKUXBZ-UHFFFAOYSA-N
XLogP1.29
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 22513303) is 2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one is CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCOCC4)nc(C)n3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is RUQFANFJEKUXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-3-15-4-6-16(7-5-15)17-12-18-20(27)24(21-14(2)25(18)22-17)13-19(26)23-8-10-28-11-9-23/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 381.44 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 22513303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).