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

C11H16N4O4 — CID 61371099

IUPAC2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid
SMILESCn1nc(N2CCCC2CC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N4O4/c1-13-10(18)9(12-14(2)11(13)19)15-5-3-4-7(15)6-8(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyPQEWNOOTRKFBBU-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.08
Rot. Bonds3

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

2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid (PubChem CID 61371099) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid
PubChem CID61371099
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid
SMILESCn1nc(N2CCCC2CC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N4O4/c1-13-10(18)9(12-14(2)11(13)19)15-5-3-4-7(15)6-8(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyPQEWNOOTRKFBBU-UHFFFAOYSA-N
XLogP-1.08
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid (CID 61371099) is 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid is Cn1nc(N2CCCC2CC(=O)O)c(=O)n(C)c1=O.
What is the InChIKey of 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid?
The InChIKey is PQEWNOOTRKFBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-13-10(18)9(12-14(2)11(13)19)15-5-3-4-7(15)6-8(16)17/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid?
2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).