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

C12H19N5O3 — CID 61043016

IUPAC4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide
SMILESCn1nc(NC2CCC(C(N)=O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N5O3/c1-16-11(19)10(15-17(2)12(16)20)14-8-5-3-7(4-6-8)9(13)18/h7-8H,3-6H2,1-2H3,(H2,13,18)(H,14,15)
InChIKeyKVSIKOGETANGGQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP-1.07
Rot. Bonds3

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

4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide (PubChem CID 61043016) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide
PubChem CID61043016
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide
SMILESCn1nc(NC2CCC(C(N)=O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N5O3/c1-16-11(19)10(15-17(2)12(16)20)14-8-5-3-7(4-6-8)9(13)18/h7-8H,3-6H2,1-2H3,(H2,13,18)(H,14,15)
InChIKeyKVSIKOGETANGGQ-UHFFFAOYSA-N
XLogP-1.07
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide (CID 61043016) is 4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide is Cn1nc(NC2CCC(C(N)=O)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is KVSIKOGETANGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-16-11(19)10(15-17(2)12(16)20)14-8-5-3-7(4-6-8)9(13)18/h7-8H,3-6H2,1-2H3,(H2,13,18)(H,14,15).
What are the key properties of 4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide?
4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 281.32 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 61043016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).