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

C10H16N4O3 — CID 112753068

IUPAC6-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CCC(CO)CC2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-5-6-1-3-7(4-2-6)11-8-9(16)12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,13)(H2,12,14,16,17)
InChIKeyFTUYUGNLOSYORZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.58
Rot. Bonds3

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

6-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 112753068) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID112753068
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CCC(CO)CC2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-5-6-1-3-7(4-2-6)11-8-9(16)12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,13)(H2,12,14,16,17)
InChIKeyFTUYUGNLOSYORZ-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-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 62520260
6-[(2-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 64911041
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
6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 103703715
6-[[2-(Hydroxymethyl)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103705009
6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 103705020
6-[(5-hydroxy-4-methylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103858533
6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 106129063
6-[(4-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 106130755
6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 112697567
6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 113243896

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione (CID 112753068) is 6-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NC2CCC(CO)CC2)c(=O)[nH]1.
What is the InChIKey of 6-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is FTUYUGNLOSYORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-5-6-1-3-7(4-2-6)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-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
6-[[4-(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-[[4-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 112753068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).