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

C11H18N4O3 — CID 112697567

IUPAC6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2(CO)CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c16-7-11(4-2-1-3-5-11)6-12-8-9(17)13-10(18)15-14-8/h16H,1-7H2,(H,12,14)(H2,13,15,17,18)
InChIKeyULPOECJBNLOLRF-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.19
Rot. Bonds4

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

6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 112697567) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID112697567
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2(CO)CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c16-7-11(4-2-1-3-5-11)6-12-8-9(17)13-10(18)15-14-8/h16H,1-7H2,(H,12,14)(H2,13,15,17,18)
InChIKeyULPOECJBNLOLRF-UHFFFAOYSA-N
XLogP-0.19
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.19
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]methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione (CID 112697567) is 6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCC2(CO)CCCCC2)c(=O)[nH]1.
What is the InChIKey of 6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ULPOECJBNLOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c16-7-11(4-2-1-3-5-11)6-12-8-9(17)13-10(18)15-14-8/h16H,1-7H2,(H,12,14)(H2,13,15,17,18).
What are the key properties of 6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of -0.19, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 112697567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).