2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione

C12H19N5O3 — CID 115586037

IUPAC2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(=O)N2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N5O3/c1-15-11(19)10(14-16(2)12(15)20)13-8-9(18)17-6-4-3-5-7-17/h3-8H2,1-2H3,(H,13,14)
InChIKeyYDVRSXJTYXCNNU-UHFFFAOYSA-N
MW281.32 g/mol
LogP-1.10
Rot. Bonds3

About 2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione (PubChem CID 115586037) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione
PubChem CID115586037
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(=O)N2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N5O3/c1-15-11(19)10(14-16(2)12(15)20)13-8-9(18)17-6-4-3-5-7-17/h3-8H2,1-2H3,(H,13,14)
InChIKeyYDVRSXJTYXCNNU-UHFFFAOYSA-N
XLogP-1.10
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione (CID 115586037) is 2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione is Cn1nc(NCC(=O)N2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione?
The InChIKey is YDVRSXJTYXCNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-15-11(19)10(14-16(2)12(15)20)13-8-9(18)17-6-4-3-5-7-17/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione has a molecular weight of 281.32 g/mol, XLogP of -1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 115586037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).