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

C10H14N4O4 — CID 60675012

IUPACmethyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O4/c1-18-9(16)6-2-4-14(5-3-6)7-8(15)11-10(17)13-12-7/h6H,2-5H2,1H3,(H2,11,13,15,17)
InChIKeyGTGHNJKYPQQAHO-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.15
Rot. Bonds2

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

methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate (PubChem CID 60675012) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate
PubChem CID60675012
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Namemethyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O4/c1-18-9(16)6-2-4-14(5-3-6)7-8(15)11-10(17)13-12-7/h6H,2-5H2,1H3,(H2,11,13,15,17)
InChIKeyGTGHNJKYPQQAHO-UHFFFAOYSA-N
XLogP-1.15
TPSA108.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate
CID 4366388
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylic acid
CID 43431809
Ethyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate
CID 52167422
Methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate
CID 60658803
methyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-methylamino]butanoate
CID 62006123
2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid
CID 62689919
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid
CID 63124159
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125991
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid
CID 63126370
methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylate
CID 78920120
2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-4-yl]acetic acid
CID 79608688
methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpyrrolidine-3-carboxylate
CID 80351605

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate (CID 60675012) is methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate?
The InChIKey is GTGHNJKYPQQAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-18-9(16)6-2-4-14(5-3-6)7-8(15)11-10(17)13-12-7/h6H,2-5H2,1H3,(H2,11,13,15,17).
What are the key properties of methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate?
methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate has a molecular weight of 254.25 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate is sourced from PubChem (CID 60675012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).