1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone

C14H22N4O — CID 105362265

IUPAC1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone
SMILESCCc1nnc(N2CCCC(C(C)=O)C2)nc1CC
InChIInChI=1S/C14H22N4O/c1-4-12-13(5-2)16-17-14(15-12)18-8-6-7-11(9-18)10(3)19/h11H,4-9H2,1-3H3
InChIKeyGYJDVVRJLLRJMF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.80
Rot. Bonds4

About 1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone

1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone (PubChem CID 105362265) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone
PubChem CID105362265
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone
SMILESCCc1nnc(N2CCCC(C(C)=O)C2)nc1CC
InChIInChI=1S/C14H22N4O/c1-4-12-13(5-2)16-17-14(15-12)18-8-6-7-11(9-18)10(3)19/h11H,4-9H2,1-3H3
InChIKeyGYJDVVRJLLRJMF-UHFFFAOYSA-N
XLogP1.80
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-ol
CID 105363184
1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanamine
CID 105362011
1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine
CID 105363076
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid
CID 105362083
3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine
CID 105363434
(3aS,6aR)-2-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063194
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate
CID 114985351
ethyl 1-(1,2,4-benzotriazin-3-yl)piperidine-3-carboxylate
CID 103204945
2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile
CID 107548775
2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine
CID 105363020
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone (CID 105362265) is 1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone is CCc1nnc(N2CCCC(C(C)=O)C2)nc1CC.
What is the InChIKey of 1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone?
The InChIKey is GYJDVVRJLLRJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-12-13(5-2)16-17-14(15-12)18-8-6-7-11(9-18)10(3)19/h11H,4-9H2,1-3H3.
What are the key properties of 1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone?
1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone has a molecular weight of 262.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 105362265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).