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

C10H16N4O3 — CID 113243896

IUPAC6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2CCCC(O)C2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-7-3-1-2-6(4-7)5-11-8-9(16)12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,13)(H2,12,14,16,17)
InChIKeyOJYJWVRSJOHKII-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.58
Rot. Bonds3

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

6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 113243896) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID113243896
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2CCCC(O)C2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-7-3-1-2-6(4-7)5-11-8-9(16)12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,13)(H2,12,14,16,17)
InChIKeyOJYJWVRSJOHKII-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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 113243896) is 6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCC2CCCC(O)C2)c(=O)[nH]1.
What is the InChIKey of 6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is OJYJWVRSJOHKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-7-3-1-2-6(4-7)5-11-8-9(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-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(3-hydroxycyclohexyl)methylamino]-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-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 113243896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).