1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one

C17H21N5O2 — CID 42152010

IUPAC1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cnnc(NCCCN3CCCC3=O)n2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-14-7-5-13(6-8-14)15-12-19-21-17(20-15)18-9-3-11-22-10-2-4-16(22)23/h5-8,12H,2-4,9-11H2,1H3,(H,18,20,21)
InChIKeyWJJPLDSCKSTFJK-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.97
Rot. Bonds7

About 1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 42152010) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one
PubChem CID42152010
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cnnc(NCCCN3CCCC3=O)n2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-14-7-5-13(6-8-14)15-12-19-21-17(20-15)18-9-3-11-22-10-2-4-16(22)23/h5-8,12H,2-4,9-11H2,1H3,(H,18,20,21)
InChIKeyWJJPLDSCKSTFJK-UHFFFAOYSA-N
XLogP1.97
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[2-(4-methoxyphenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]acetamide
CID 44197007
as-Triazine, 3-hydrazino-5-(4-methoxyphenyl)-
CID 3042264
1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(4-methoxyphenyl)-
CID 3054503
1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 16020692
1-[6-(4-Methoxyphenyl)imidazo[2,1-B][1,3,4]thiadiazol-2-YL]-N-[3-(propan-2-yloxy)propyl]piperidine-3-carboxamide
CID 16020696
1-[6-(4-Methoxyphenyl)imidazo[2,1-B][1,3,4]thiadiazol-2-YL]-N-[3-(propylsulfanyl)propyl]piperidine-3-carboxamide
CID 16020717
(6S)-6-(1H-imidazol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 53305574
(6R)-6-(1H-imidazol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 53305575
N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide
CID 118737309
Acetic acid, 2-(5-(4-methoxyphenyl)-3-as-triazinyl)hydrazide
CID 3053956
as-Triazine, 3-methoxy-5-(p-methoxyphenyl)-
CID 3053044
1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(4-methoxyphenyl)-3-(1-methylethyl)-
CID 3070763

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one (CID 42152010) is 1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one is COc1ccc(-c2cnnc(NCCCN3CCCC3=O)n2)cc1.
What is the InChIKey of 1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is WJJPLDSCKSTFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-14-7-5-13(6-8-14)15-12-19-21-17(20-15)18-9-3-11-22-10-2-4-16(22)23/h5-8,12H,2-4,9-11H2,1H3,(H,18,20,21).
What are the key properties of 1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 327.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 42152010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).