methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate

C12H18N4O4 — CID 60658803

IUPACmethyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C12H18N4O4/c1-14-10(17)9(13-15(2)12(14)19)16-6-4-8(5-7-16)11(18)20-3/h8H,4-7H2,1-3H3
InChIKeyPXVDKFMYJVRCPJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP-1.13
Rot. Bonds2

About methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate

methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate (PubChem CID 60658803) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate
PubChem CID60658803
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Namemethyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C12H18N4O4/c1-14-10(17)9(13-15(2)12(14)19)16-6-4-8(5-7-16)11(18)20-3/h8H,4-7H2,1-3H3
InChIKeyPXVDKFMYJVRCPJ-UHFFFAOYSA-N
XLogP-1.13
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate (CID 60658803) is methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2nn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate?
The InChIKey is PXVDKFMYJVRCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-14-10(17)9(13-15(2)12(14)19)16-6-4-8(5-7-16)11(18)20-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate?
methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate has a molecular weight of 282.30 g/mol, XLogP of -1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate is sourced from PubChem (CID 60658803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).