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

C16H19N5O — CID 112941941

IUPAC1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nncc(N3CCCCC3)n2)cc1
InChIInChI=1S/C16H19N5O/c1-12(22)13-5-7-14(8-6-13)18-16-19-15(11-17-20-16)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,20)
InChIKeyRGEKMCWMAVSDPI-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.81
Rot. Bonds4

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

1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone (PubChem CID 112941941) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone
PubChem CID112941941
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nncc(N3CCCCC3)n2)cc1
InChIInChI=1S/C16H19N5O/c1-12(22)13-5-7-14(8-6-13)18-16-19-15(11-17-20-16)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,20)
InChIKeyRGEKMCWMAVSDPI-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

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

methyl 4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]benzoate
CID 112941946
1-[4-[[5-(4-acetylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112946951
5-(azepan-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-3-amine
CID 112961261
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone
CID 112942131
1-[4-[3-(4-fluoroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946922
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941132
N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941993
1-[3-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112942692
1-[4-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone
CID 58865645
N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945868
1-[4-[[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112888321

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone (CID 112941941) is 1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nncc(N3CCCCC3)n2)cc1.
What is the InChIKey of 1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone?
The InChIKey is RGEKMCWMAVSDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12(22)13-5-7-14(8-6-13)18-16-19-15(11-17-20-16)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-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone?
1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-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-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone is sourced from PubChem (CID 112941941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).