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

C10H14N4O4 — CID 64815497

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H14N4O4/c15-8-7(13-14-10(18)12-8)11-6-4-2-1-3-5(6)9(16)17/h5-6H,1-4H2,(H,11,13)(H,16,17)(H2,12,14,15,18)
InChIKeyMOWARFOFOYODLJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.49
Rot. Bonds3

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

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64815497) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID64815497
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H14N4O4/c15-8-7(13-14-10(18)12-8)11-6-4-2-1-3-5(6)9(16)17/h5-6H,1-4H2,(H,11,13)(H,16,17)(H2,12,14,15,18)
InChIKeyMOWARFOFOYODLJ-UHFFFAOYSA-N
XLogP-0.49
TPSA127.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
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)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid (CID 64815497) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MOWARFOFOYODLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-8-7(13-14-10(18)12-8)11-6-4-2-1-3-5(6)9(16)17/h5-6H,1-4H2,(H,11,13)(H,16,17)(H2,12,14,15,18).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -0.49, 3 rotatable bonds, 4 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)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64815497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).