6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H20N4O3 — CID 103705009

IUPAC6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCCCC2CO)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-15-11(18)10(14-16(2)12(15)19)13-9-6-4-3-5-8(9)7-17/h8-9,17H,3-7H2,1-2H3,(H,13,14)
InChIKeyYPMIQOCHTJUBNR-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.56
Rot. Bonds3

About 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 103705009) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID103705009
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCCCC2CO)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-15-11(18)10(14-16(2)12(15)19)13-9-6-4-3-5-8(9)7-17/h8-9,17H,3-7H2,1-2H3,(H,13,14)
InChIKeyYPMIQOCHTJUBNR-UHFFFAOYSA-N
XLogP-0.56
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 103705009) is 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NC2CCCCC2CO)c(=O)n(C)c1=O.
What is the InChIKey of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is YPMIQOCHTJUBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-15-11(18)10(14-16(2)12(15)19)13-9-6-4-3-5-8(9)7-17/h8-9,17H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 268.32 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103705009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).