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

C13H20N4O4 — CID 61015542

IUPAC2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid
SMILESCn1nc(NC(C(=O)O)C2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O4/c1-16-11(18)10(15-17(2)13(16)21)14-9(12(19)20)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3,(H,14,15)(H,19,20)
InChIKeyDAVLQWKSJLFCTH-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.08
Rot. Bonds4

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

2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid (PubChem CID 61015542) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid
PubChem CID61015542
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid
SMILESCn1nc(NC(C(=O)O)C2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O4/c1-16-11(18)10(15-17(2)13(16)21)14-9(12(19)20)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3,(H,14,15)(H,19,20)
InChIKeyDAVLQWKSJLFCTH-UHFFFAOYSA-N
XLogP-0.08
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid (CID 61015542) is 2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid is Cn1nc(NC(C(=O)O)C2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid?
The InChIKey is DAVLQWKSJLFCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-16-11(18)10(15-17(2)13(16)21)14-9(12(19)20)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3,(H,14,15)(H,19,20).
What are the key properties of 2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid?
2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid has a molecular weight of 296.33 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid is sourced from PubChem (CID 61015542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).