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

C10H14N4O4 — CID 62689919

IUPAC2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(c2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C10H14N4O4/c15-7(16)4-6-2-1-3-14(5-6)8-9(17)11-10(18)13-12-8/h6H,1-5H2,(H,15,16)(H2,11,13,17,18)
InChIKeyDFYABXBDFPNMTH-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.85
Rot. Bonds3

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

2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid (PubChem CID 62689919) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid
PubChem CID62689919
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(c2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C10H14N4O4/c15-7(16)4-6-2-1-3-14(5-6)8-9(17)11-10(18)13-12-8/h6H,1-5H2,(H,15,16)(H2,11,13,17,18)
InChIKeyDFYABXBDFPNMTH-UHFFFAOYSA-N
XLogP-0.85
TPSA119.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid (CID 62689919) is 2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(c2n[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid?
The InChIKey is DFYABXBDFPNMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-7(16)4-6-2-1-3-14(5-6)8-9(17)11-10(18)13-12-8/h6H,1-5H2,(H,15,16)(H2,11,13,17,18).
What are the key properties of 2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid?
2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid has a molecular weight of 254.25 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).