1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone

C16H19N5O — CID 112942131

IUPAC1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cnnc(N3CCCCC3)n2)cc1
InChIInChI=1S/C16H19N5O/c1-12(22)13-5-7-14(8-6-13)18-15-11-17-20-16(19-15)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,20)
InChIKeyUXFOQZPNTOBMBJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.81
Rot. Bonds4

About 1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone

1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone (PubChem CID 112942131) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone
PubChem CID112942131
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cnnc(N3CCCCC3)n2)cc1
InChIInChI=1S/C16H19N5O/c1-12(22)13-5-7-14(8-6-13)18-15-11-17-20-16(19-15)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,20)
InChIKeyUXFOQZPNTOBMBJ-UHFFFAOYSA-N
XLogP2.81
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112955716
3-(azepan-1-yl)-N-(4-bromophenyl)-1,2,4-triazin-5-amine
CID 112961392
N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide
CID 112941370
1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone
CID 112941941
methyl 3-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]benzoate
CID 112942135
methyl 4-[[3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112960765
N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942109
N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112946430
3-(azepan-1-yl)-N-(3,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112961460
N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942079
ethyl 4-[5-(4-methoxycarbonylanilino)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112957164
3-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
CID 112961433

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone (CID 112942131) is 1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone is CC(=O)c1ccc(Nc2cnnc(N3CCCCC3)n2)cc1.
What is the InChIKey of 1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone?
The InChIKey is UXFOQZPNTOBMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12(22)13-5-7-14(8-6-13)18-15-11-17-20-16(19-15)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,20).
What are the key properties of 1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone?
1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone has a molecular weight of 297.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone is sourced from PubChem (CID 112942131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).