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

C17H21N5O2 — CID 25301649

IUPAC1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one
SMILESCOc1ccc(-c2cnnc(NCCN3CCCCC3=O)n2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-14-7-5-13(6-8-14)15-12-19-21-17(20-15)18-9-11-22-10-3-2-4-16(22)23/h5-8,12H,2-4,9-11H2,1H3,(H,18,20,21)
InChIKeyAHWZVEXJYVTCET-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.97
Rot. Bonds6

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

1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one (PubChem CID 25301649) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one
PubChem CID25301649
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one
SMILESCOc1ccc(-c2cnnc(NCCN3CCCCC3=O)n2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-14-7-5-13(6-8-14)15-12-19-21-17(20-15)18-9-11-22-10-3-2-4-16(22)23/h5-8,12H,2-4,9-11H2,1H3,(H,18,20,21)
InChIKeyAHWZVEXJYVTCET-UHFFFAOYSA-N
XLogP1.97
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

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Related Compounds

4-[(E)-{2-[5-(4-Methoxyphenyl)-1,2,4-triazin-3-YL]hydrazin-1-ylidene}methyl]phenol
CID 135439774
as-Triazine, 3-hydrazino-5-(4-methoxyphenyl)-
CID 3042264
N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 46742341
Acetic acid, 2-(5-(4-methoxyphenyl)-3-as-triazinyl)hydrazide
CID 3053956
as-Triazine, 3-methoxy-5-(p-methoxyphenyl)-
CID 3053044
N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223408
5-(4-Methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
CID 6636212
(1E,2E)-2-methyl-3-phenylacrylaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 9702984
US10029993, Example 219
CID 136215074
1,2,4-Triazin-3-amine, 5,6-bis(4-methoxyphenyl)-N-2-propenyl-
CID 3062888
5-(4-Methoxyphenyl)-1,2,4-triazin-3-amine
CID 7176092
1-Ethyl-4-{1-[6-(4-methoxyphenyl)imidazo[2,1-B][1,3,4]thiadiazol-2-YL]piperidine-3-carbonyl}piperazine
CID 6626086

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one (CID 25301649) is 1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one is COc1ccc(-c2cnnc(NCCN3CCCCC3=O)n2)cc1.
What is the InChIKey of 1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one?
The InChIKey is AHWZVEXJYVTCET-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)18-9-11-22-10-3-2-4-16(22)23/h5-8,12H,2-4,9-11H2,1H3,(H,18,20,21).
What are the key properties of 1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one?
1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one has a molecular weight of 327.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one is sourced from PubChem (CID 25301649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).