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

C16H23N5O2 — CID 22514527

IUPAC4-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCCc1nn(CC(=O)N2CCN(CC)CC2)c(=O)c2cccn12
InChIInChI=1S/C16H23N5O2/c1-3-14-17-21(16(23)13-6-5-7-20(13)14)12-15(22)19-10-8-18(4-2)9-11-19/h5-7H,3-4,8-12H2,1-2H3
InChIKeyALRJFDJUWBNIHC-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.22
Rot. Bonds4

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

4-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 22514527) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name4-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID22514527
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name4-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCCc1nn(CC(=O)N2CCN(CC)CC2)c(=O)c2cccn12
InChIInChI=1S/C16H23N5O2/c1-3-14-17-21(16(23)13-6-5-7-20(13)14)12-15(22)19-10-8-18(4-2)9-11-19/h5-7H,3-4,8-12H2,1-2H3
InChIKeyALRJFDJUWBNIHC-UHFFFAOYSA-N
XLogP0.22
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.22
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-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 4-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 22514527) is 4-ethyl-2-[2-(4-ethylpiperazin-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-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 4-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one is CCc1nn(CC(=O)N2CCN(CC)CC2)c(=O)c2cccn12.
What is the InChIKey of 4-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is ALRJFDJUWBNIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-14-17-21(16(23)13-6-5-7-20(13)14)12-15(22)19-10-8-18(4-2)9-11-19/h5-7H,3-4,8-12H2,1-2H3.
What are the key properties of 4-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
4-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 317.39 g/mol, XLogP of 0.22, 4 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-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 22514527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).