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

C10H16N4O4 — CID 60829520

IUPAC2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O4/c1-6(2)14(5-7(15)16)8-9(17)12(3)10(18)13(4)11-8/h6H,5H2,1-4H3,(H,15,16)
InChIKeyLBAPALGNQQAVCB-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.22
Rot. Bonds4

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

2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]acetic acid (PubChem CID 60829520) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]acetic acid
PubChem CID60829520
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O4/c1-6(2)14(5-7(15)16)8-9(17)12(3)10(18)13(4)11-8/h6H,5H2,1-4H3,(H,15,16)
InChIKeyLBAPALGNQQAVCB-UHFFFAOYSA-N
XLogP-1.22
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
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)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]acetic acid (CID 60829520) is 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]acetic acid?
The InChIKey is LBAPALGNQQAVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-6(2)14(5-7(15)16)8-9(17)12(3)10(18)13(4)11-8/h6H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]acetic acid?
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-propan-2-ylamino]acetic acid has a molecular weight of 256.26 g/mol, XLogP of -1.22, 4 rotatable bonds, 1 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)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60829520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).