2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid

C11H17N5O4 — CID 43646850

IUPAC2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid
SMILESCn1nc(N2CCN(CC(=O)O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N5O4/c1-13-10(19)9(12-14(2)11(13)20)16-5-3-15(4-6-16)7-8(17)18/h3-7H2,1-2H3,(H,17,18)
InChIKeyQCSHCCHQNXKUAD-UHFFFAOYSA-N
MW283.29 g/mol
LogP-2.31
Rot. Bonds3

About 2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid

2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid (PubChem CID 43646850) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid
PubChem CID43646850
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid
SMILESCn1nc(N2CCN(CC(=O)O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N5O4/c1-13-10(19)9(12-14(2)11(13)20)16-5-3-15(4-6-16)7-8(17)18/h3-7H2,1-2H3,(H,17,18)
InChIKeyQCSHCCHQNXKUAD-UHFFFAOYSA-N
XLogP-2.31
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-2.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid (CID 43646850) is 2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid is Cn1nc(N2CCN(CC(=O)O)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid?
The InChIKey is QCSHCCHQNXKUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-13-10(19)9(12-14(2)11(13)20)16-5-3-15(4-6-16)7-8(17)18/h3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid?
2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid has a molecular weight of 283.29 g/mol, XLogP of -2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 43646850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).