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

C7H10N4O4 — CID 43431812

IUPAC2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid
SMILESCn1nc(NCC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C7H10N4O4/c1-10-6(14)5(8-3-4(12)13)9-11(2)7(10)15/h3H2,1-2H3,(H,8,9)(H,12,13)
InChIKeyLCCKDVFYPVVTKP-UHFFFAOYSA-N
MW214.18 g/mol
LogP-2.02
Rot. Bonds3

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

2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid (PubChem CID 43431812) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid
PubChem CID43431812
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid
SMILESCn1nc(NCC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C7H10N4O4/c1-10-6(14)5(8-3-4(12)13)9-11(2)7(10)15/h3H2,1-2H3,(H,8,9)(H,12,13)
InChIKeyLCCKDVFYPVVTKP-UHFFFAOYSA-N
XLogP-2.02
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid?
The IUPAC name of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid (CID 43431812) is 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid?
The canonical SMILES for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid is Cn1nc(NCC(=O)O)c(=O)n(C)c1=O.
What is the InChIKey of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid?
The InChIKey is LCCKDVFYPVVTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-10-6(14)5(8-3-4(12)13)9-11(2)7(10)15/h3H2,1-2H3,(H,8,9)(H,12,13).
What are the key properties of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid?
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid has a molecular weight of 214.18 g/mol, XLogP of -2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid is sourced from PubChem (CID 43431812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).