6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione

C10H16N4O3 — CID 102635934

IUPAC6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(c1n[nH]c(=O)[nH]c1=O)C1CCCCC1O
InChIInChI=1S/C10H16N4O3/c1-14(6-4-2-3-5-7(6)15)8-9(16)11-10(17)13-12-8/h6-7,15H,2-5H2,1H3,(H2,11,13,16,17)
InChIKeyAMYVTZYGJKBXNH-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.80
Rot. Bonds2

About 6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione

6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 102635934) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID102635934
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(c1n[nH]c(=O)[nH]c1=O)C1CCCCC1O
InChIInChI=1S/C10H16N4O3/c1-14(6-4-2-3-5-7(6)15)8-9(16)11-10(17)13-12-8/h6-7,15H,2-5H2,1H3,(H2,11,13,16,17)
InChIKeyAMYVTZYGJKBXNH-UHFFFAOYSA-N
XLogP-0.80
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione (CID 102635934) is 6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione is CN(c1n[nH]c(=O)[nH]c1=O)C1CCCCC1O.
What is the InChIKey of 6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is AMYVTZYGJKBXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-14(6-4-2-3-5-7(6)15)8-9(16)11-10(17)13-12-8/h6-7,15H,2-5H2,1H3,(H2,11,13,16,17).
What are the key properties of 6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxycyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 102635934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).