2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

C19H22N6O3 — CID 22513119

IUPAC2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(C)CC4)ncn3n2)cc1
InChIInChI=1S/C19H22N6O3/c1-22-7-9-23(10-8-22)18(26)12-24-19(27)17-11-16(21-25(17)13-20-24)14-3-5-15(28-2)6-4-14/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyRGUXNSLJNOYRPN-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.34
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 22513119) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID22513119
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(C)CC4)ncn3n2)cc1
InChIInChI=1S/C19H22N6O3/c1-22-7-9-23(10-8-22)18(26)12-24-19(27)17-11-16(21-25(17)13-20-24)14-3-5-15(28-2)6-4-14/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyRGUXNSLJNOYRPN-UHFFFAOYSA-N
XLogP0.34
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 22513119) is 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is COc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(C)CC4)ncn3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is RGUXNSLJNOYRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-22-7-9-23(10-8-22)18(26)12-24-19(27)17-11-16(21-25(17)13-20-24)14-3-5-15(28-2)6-4-14/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 382.42 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 22513119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).