ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate

C13H21N5O2 — CID 114448111

IUPACethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nnc(C)c(C)n2)CC1
InChIInChI=1S/C13H21N5O2/c1-4-20-13(19)18-7-5-11(6-8-18)15-12-14-9(2)10(3)16-17-12/h11H,4-8H2,1-3H3,(H,14,15,17)
InChIKeySFSUTVWMBHGHEC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.52
Rot. Bonds3

About ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate

ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate (PubChem CID 114448111) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
PubChem CID114448111
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Nameethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nnc(C)c(C)n2)CC1
InChIInChI=1S/C13H21N5O2/c1-4-20-13(19)18-7-5-11(6-8-18)15-12-14-9(2)10(3)16-17-12/h11H,4-8H2,1-3H3,(H,14,15,17)
InChIKeySFSUTVWMBHGHEC-UHFFFAOYSA-N
XLogP1.52
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]piperidine-1-carboxylate
CID 112939342
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-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
CID 112956940
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112943340
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[[5-(2-methylanilino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956941
ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate
CID 43554079
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
ethyl 4-[[5-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109247316
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate (CID 114448111) is ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nnc(C)c(C)n2)CC1.
What is the InChIKey of ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate?
The InChIKey is SFSUTVWMBHGHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-20-13(19)18-7-5-11(6-8-18)15-12-14-9(2)10(3)16-17-12/h11H,4-8H2,1-3H3,(H,14,15,17).
What are the key properties of ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 114448111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).