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

C10H16N4O3 — CID 103705020

IUPAC6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CCCCC2CO)c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-5-6-3-1-2-4-7(6)11-8-9(16)12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,13)(H2,12,14,16,17)
InChIKeyWUCRXWYSPSIJNA-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.58
Rot. Bonds3

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

6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103705020) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103705020
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CCCCC2CO)c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-5-6-3-1-2-4-7(6)11-8-9(16)12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,13)(H2,12,14,16,17)
InChIKeyWUCRXWYSPSIJNA-UHFFFAOYSA-N
XLogP-0.58
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-[(2-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 43410675
6-[(1-hydroxy-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61246007
6-[3-(2-hydroxyethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 62358303
6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 62520260
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid
CID 64815497
6-[(2-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 64911041
6-[(2-Hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 64912092
6-[(2-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 64928270
6-[(2-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65836135
6-[[2-(aminomethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 65849288
6-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65903007
6-[[2-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65925677

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione (CID 103705020) is 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NC2CCCCC2CO)c(=O)[nH]1.
What is the InChIKey of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is WUCRXWYSPSIJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-5-6-3-1-2-4-7(6)11-8-9(16)12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,13)(H2,12,14,16,17).
What are the key properties of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -0.58, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103705020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).