2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one

C20H23N5O2 — CID 22514539

IUPAC2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCC(C(=O)N1CCN(Cc2ccccc2)CC1)n1ncn2cccc2c1=O
InChIInChI=1S/C20H23N5O2/c1-16(25-20(27)18-8-5-9-24(18)15-21-25)19(26)23-12-10-22(11-13-23)14-17-6-3-2-4-7-17/h2-9,15-16H,10-14H2,1H3
InChIKeyUFYCZNPQCXCGLW-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.40
Rot. Bonds4

About 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one

2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 22514539) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID22514539
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCC(C(=O)N1CCN(Cc2ccccc2)CC1)n1ncn2cccc2c1=O
InChIInChI=1S/C20H23N5O2/c1-16(25-20(27)18-8-5-9-24(18)15-21-25)19(26)23-12-10-22(11-13-23)14-17-6-3-2-4-7-17/h2-9,15-16H,10-14H2,1H3
InChIKeyUFYCZNPQCXCGLW-UHFFFAOYSA-N
XLogP1.40
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one with MolForge

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

Launch Full Analysis

Related Compounds

Piberaline
CID 65975
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879958
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
7-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-5-[(4-chlorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one
CID 71451044
5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one
CID 71452872
[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 4883220
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-2-carboxamide
CID 5340941
4-Methyl-N-[2-pyridin-3-yl-1-(pyrrolidine-1-carbonyl)-vinyl]-benzamide
CID 5764752
2-[2-(2-methylbenzoyl)-1H-pyrrol-1-yl]-1-piperidino-1-ethanone
CID 20889313
4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514403
N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514420

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 22514539) is 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one is CC(C(=O)N1CCN(Cc2ccccc2)CC1)n1ncn2cccc2c1=O.
What is the InChIKey of 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is UFYCZNPQCXCGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-16(25-20(27)18-8-5-9-24(18)15-21-25)19(26)23-12-10-22(11-13-23)14-17-6-3-2-4-7-17/h2-9,15-16H,10-14H2,1H3.
What are the key properties of 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 365.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 22514539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).