6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione

C11H18N4O3 — CID 79465006

IUPAC6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(OC2CCCC(N)C2)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-14-10(16)9(13-15(2)11(14)17)18-8-5-3-4-7(12)6-8/h7-8H,3-6,12H2,1-2H3
InChIKeyJGFFBJGGZWZIKM-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.87
Rot. Bonds2

About 6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 79465006) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID79465006
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(OC2CCCC(N)C2)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-14-10(16)9(13-15(2)11(14)17)18-8-5-3-4-7(12)6-8/h7-8H,3-6,12H2,1-2H3
InChIKeyJGFFBJGGZWZIKM-UHFFFAOYSA-N
XLogP-0.87
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 79465006) is 6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(OC2CCCC(N)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is JGFFBJGGZWZIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-14-10(16)9(13-15(2)11(14)17)18-8-5-3-4-7(12)6-8/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 79465006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).