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

C17H28N6O2 — CID 112942609

IUPACethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nncc(N3CCC(C)CC3)n2)CC1
InChIInChI=1S/C17H28N6O2/c1-3-25-17(24)23-10-6-14(7-11-23)19-16-20-15(12-18-21-16)22-8-4-13(2)5-9-22/h12-14H,3-11H2,1-2H3,(H,19,20,21)
InChIKeyQMNMSLNORCWTNE-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.14
Rot. Bonds4

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

ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate (PubChem CID 112942609) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
PubChem CID112942609
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Nameethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nncc(N3CCC(C)CC3)n2)CC1
InChIInChI=1S/C17H28N6O2/c1-3-25-17(24)23-10-6-14(7-11-23)19-16-20-15(12-18-21-16)22-8-4-13(2)5-9-22/h12-14H,3-11H2,1-2H3,(H,19,20,21)
InChIKeyQMNMSLNORCWTNE-UHFFFAOYSA-N
XLogP2.14
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 4-[[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112945813
ethyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]piperidine-1-carboxylate
CID 112939342
ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956946
ethyl 4-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112943340
ethyl 4-[3-(butylamino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112940126
ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
CID 112956940
ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
CID 114448111
ethyl 4-[3-(2,4,6-trimethylanilino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112957031
ethyl 4-[[5-(2-methylanilino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956941
1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112942384
5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938499
ethyl 4-[3-(2-ethylanilino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112957025

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate (CID 112942609) is ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nncc(N3CCC(C)CC3)n2)CC1.
What is the InChIKey of ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate?
The InChIKey is QMNMSLNORCWTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-3-25-17(24)23-10-6-14(7-11-23)19-16-20-15(12-18-21-16)22-8-4-13(2)5-9-22/h12-14H,3-11H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 112942609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).