ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate

C17H22N6O2 — CID 112956940

IUPACethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nncc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C17H22N6O2/c1-2-25-17(24)23-10-8-14(9-11-23)20-16-21-15(12-18-22-16)19-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H2,19,20,21,22)
InChIKeySHEAQSCPUSJJQF-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.65
Rot. Bonds5

About ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate

ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate (PubChem CID 112956940) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
PubChem CID112956940
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Nameethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nncc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C17H22N6O2/c1-2-25-17(24)23-10-8-14(9-11-23)20-16-21-15(12-18-22-16)19-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H2,19,20,21,22)
InChIKeySHEAQSCPUSJJQF-UHFFFAOYSA-N
XLogP2.65
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[5-(2-methylanilino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956941
ethyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]piperidine-1-carboxylate
CID 112939342
ethyl 4-[[3-(4-propan-2-ylanilino)-1,2,4-triazin-5-yl]amino]piperidine-1-carboxylate
CID 112956888
ethyl 4-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112943340
ethyl 4-[[5-(2-methoxy-5-methylanilino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956979
ethyl 4-[[3-(pyridin-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]piperidine-1-carboxylate
CID 112952020
4-[[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194298
ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112942609
ethyl 4-[[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112945813
ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
CID 114448111
ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112933135
ethyl 4-[[4-(3-fluoroanilino)-6-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112923261

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate (CID 112956940) is ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nncc(Nc3ccccc3)n2)CC1.
What is the InChIKey of ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate?
The InChIKey is SHEAQSCPUSJJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-2-25-17(24)23-10-8-14(9-11-23)20-16-21-15(12-18-22-16)19-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H2,19,20,21,22).
What are the key properties of ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 112956940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).