4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one

C15H21N5O2 — CID 22514522

IUPAC4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCCc1nn(CC(=O)N2CCN(C)CC2)c(=O)c2cccn12
InChIInChI=1S/C15H21N5O2/c1-3-13-16-20(15(22)12-5-4-6-19(12)13)11-14(21)18-9-7-17(2)8-10-18/h4-6H,3,7-11H2,1-2H3
InChIKeyRSJVXVHTBDFOLM-UHFFFAOYSA-N
MW303.37 g/mol
LogP-0.17
Rot. Bonds3

About 4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one

4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 22514522) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID22514522
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCCc1nn(CC(=O)N2CCN(C)CC2)c(=O)c2cccn12
InChIInChI=1S/C15H21N5O2/c1-3-13-16-20(15(22)12-5-4-6-19(12)13)11-14(21)18-9-7-17(2)8-10-18/h4-6H,3,7-11H2,1-2H3
InChIKeyRSJVXVHTBDFOLM-UHFFFAOYSA-N
XLogP-0.17
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 22514522) is 4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one is CCc1nn(CC(=O)N2CCN(C)CC2)c(=O)c2cccn12.
What is the InChIKey of 4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is RSJVXVHTBDFOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-13-16-20(15(22)12-5-4-6-19(12)13)11-14(21)18-9-7-17(2)8-10-18/h4-6H,3,7-11H2,1-2H3.
What are the key properties of 4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 303.37 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 22514522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).