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

C11H16N4O4 — CID 54901635

IUPAC2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid
SMILESO=C(O)C(Nc1n[nH]c(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C11H16N4O4/c16-9-8(14-15-11(19)13-9)12-7(10(17)18)6-4-2-1-3-5-6/h6-7H,1-5H2,(H,12,14)(H,17,18)(H2,13,15,16,19)
InChIKeyACSWXBGBRIJOBH-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.10
Rot. Bonds4

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

2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid (PubChem CID 54901635) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid
PubChem CID54901635
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid
SMILESO=C(O)C(Nc1n[nH]c(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C11H16N4O4/c16-9-8(14-15-11(19)13-9)12-7(10(17)18)6-4-2-1-3-5-6/h6-7H,1-5H2,(H,12,14)(H,17,18)(H2,13,15,16,19)
InChIKeyACSWXBGBRIJOBH-UHFFFAOYSA-N
XLogP-0.10
TPSA127.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid (CID 54901635) is 2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid is O=C(O)C(Nc1n[nH]c(=O)[nH]c1=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid?
The InChIKey is ACSWXBGBRIJOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-9-8(14-15-11(19)13-9)12-7(10(17)18)6-4-2-1-3-5-6/h6-7H,1-5H2,(H,12,14)(H,17,18)(H2,13,15,16,19).
What are the key properties of 2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid?
2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid is sourced from PubChem (CID 54901635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).