1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone

C15H25N7O2 — CID 112945249

IUPAC1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cnnc(NCCN3CCOCC3)n2)CC1
InChIInChI=1S/C15H25N7O2/c1-13(23)21-4-6-22(7-5-21)14-12-17-19-15(18-14)16-2-3-20-8-10-24-11-9-20/h12H,2-11H2,1H3,(H,16,18,19)
InChIKeyCVPIEZLKVCWOBO-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.72
Rot. Bonds5

About 1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone

1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone (PubChem CID 112945249) has the molecular formula C15H25N7O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
PubChem CID112945249
Molecular FormulaC15H25N7O2
Molecular Weight335.41 g/mol
Exact Mass335.21
IUPAC Name1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cnnc(NCCN3CCOCC3)n2)CC1
InChIInChI=1S/C15H25N7O2/c1-13(23)21-4-6-22(7-5-21)14-12-17-19-15(18-14)16-2-3-20-8-10-24-11-9-20/h12H,2-11H2,1H3,(H,16,18,19)
InChIKeyCVPIEZLKVCWOBO-UHFFFAOYSA-N
XLogP-0.72
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]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

5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945289
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945291
1-[4-[3-[3-(dimethylamino)propylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112945597
5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine
CID 112944097
5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945299
1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946865
1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109185781
ethyl 4-[3-(butylamino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112940126
5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945318
5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945329
1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112942384
4-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112913275

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone (CID 112945249) is 1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cnnc(NCCN3CCOCC3)n2)CC1.
What is the InChIKey of 1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
The InChIKey is CVPIEZLKVCWOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O2/c1-13(23)21-4-6-22(7-5-21)14-12-17-19-15(18-14)16-2-3-20-8-10-24-11-9-20/h12H,2-11H2,1H3,(H,16,18,19).
What are the key properties of 1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone has a molecular weight of 335.41 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112945249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).