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

C12H18N4O4 — CID 61290658

IUPAC1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid
SMILESCn1nc(NC2(C(=O)O)CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O4/c1-15-9(17)8(14-16(2)11(15)20)13-12(10(18)19)6-4-3-5-7-12/h3-7H2,1-2H3,(H,13,14)(H,18,19)
InChIKeyLMMIJYFNZWTDFC-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.32
Rot. Bonds3

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

1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61290658) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID61290658
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid
SMILESCn1nc(NC2(C(=O)O)CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O4/c1-15-9(17)8(14-16(2)11(15)20)13-12(10(18)19)6-4-3-5-7-12/h3-7H2,1-2H3,(H,13,14)(H,18,19)
InChIKeyLMMIJYFNZWTDFC-UHFFFAOYSA-N
XLogP-0.32
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid (CID 61290658) is 1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid is Cn1nc(NC2(C(=O)O)CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LMMIJYFNZWTDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-15-9(17)8(14-16(2)11(15)20)13-12(10(18)19)6-4-3-5-7-12/h3-7H2,1-2H3,(H,13,14)(H,18,19).
What are the key properties of 1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid?
1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61290658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).