2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one

C20H23N5O2 — CID 22514332

IUPAC2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCc1ccc(C)c(N2CCN(C(=O)Cn3ncn4cccc4c3=O)CC2)c1
InChIInChI=1S/C20H23N5O2/c1-15-5-6-16(2)18(12-15)22-8-10-23(11-9-22)19(26)13-25-20(27)17-4-3-7-24(17)14-21-25/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyQYLUNZNEZPNEFZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.46
Rot. Bonds3

About 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one

2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 22514332) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID22514332
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCc1ccc(C)c(N2CCN(C(=O)Cn3ncn4cccc4c3=O)CC2)c1
InChIInChI=1S/C20H23N5O2/c1-15-5-6-16(2)18(12-15)22-8-10-23(11-9-22)19(26)13-25-20(27)17-4-3-7-24(17)14-21-25/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyQYLUNZNEZPNEFZ-UHFFFAOYSA-N
XLogP1.46
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 22514332) is 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one is Cc1ccc(C)c(N2CCN(C(=O)Cn3ncn4cccc4c3=O)CC2)c1.
What is the InChIKey of 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is QYLUNZNEZPNEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15-5-6-16(2)18(12-15)22-8-10-23(11-9-22)19(26)13-25-20(27)17-4-3-7-24(17)14-21-25/h3-7,12,14H,8-11,13H2,1-2H3.
What are the key properties of 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 365.44 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 22514332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).