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

C10H16N4O3 — CID 62520260

IUPAC6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2(CO)CCCCC2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-6-10(4-2-1-3-5-10)12-7-8(16)11-9(17)14-13-7/h15H,1-6H2,(H,12,13)(H2,11,14,16,17)
InChIKeyDNJXGBKIUBESDD-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.43
Rot. Bonds3

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

6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 62520260) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID62520260
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2(CO)CCCCC2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-6-10(4-2-1-3-5-10)12-7-8(16)11-9(17)14-13-7/h15H,1-6H2,(H,12,13)(H2,11,14,16,17)
InChIKeyDNJXGBKIUBESDD-UHFFFAOYSA-N
XLogP-0.43
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 ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione (CID 62520260) is 6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NC2(CO)CCCCC2)c(=O)[nH]1.
What is the InChIKey of 6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is DNJXGBKIUBESDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-6-10(4-2-1-3-5-10)12-7-8(16)11-9(17)14-13-7/h15H,1-6H2,(H,12,13)(H2,11,14,16,17).
What are the key properties of 6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -0.43, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62520260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).