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

C7H10N4O4 — CID 61012401

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O4/c1-2-11(3-4(12)13)5-6(14)8-7(15)10-9-5/h2-3H2,1H3,(H,12,13)(H2,8,10,14,15)
InChIKeyPEWVMANFSXTDJO-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.63
Rot. Bonds4

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

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid (PubChem CID 61012401) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid
PubChem CID61012401
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O4/c1-2-11(3-4(12)13)5-6(14)8-7(15)10-9-5/h2-3H2,1H3,(H,12,13)(H2,8,10,14,15)
InChIKeyPEWVMANFSXTDJO-UHFFFAOYSA-N
XLogP-1.63
TPSA119.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid (CID 61012401) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid is CCN(CC(=O)O)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid?
The InChIKey is PEWVMANFSXTDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-2-11(3-4(12)13)5-6(14)8-7(15)10-9-5/h2-3H2,1H3,(H,12,13)(H2,8,10,14,15).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid has a molecular weight of 214.18 g/mol, XLogP of -1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetic acid is sourced from PubChem (CID 61012401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).