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

C11H18N4O3 — CID 65118751

IUPAC6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCC(O)(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H18N4O3/c1-7-2-4-11(18,5-3-7)6-12-8-9(16)13-10(17)15-14-8/h7,18H,2-6H2,1H3,(H,12,14)(H2,13,15,16,17)
InChIKeyXJWZIQBDAJYOLV-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.19
Rot. Bonds3

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

6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 65118751) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID65118751
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCC(O)(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H18N4O3/c1-7-2-4-11(18,5-3-7)6-12-8-9(16)13-10(17)15-14-8/h7,18H,2-6H2,1H3,(H,12,14)(H2,13,15,16,17)
InChIKeyXJWZIQBDAJYOLV-UHFFFAOYSA-N
XLogP-0.19
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
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-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 65118751) is 6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is CC1CCC(O)(CNc2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is XJWZIQBDAJYOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7-2-4-11(18,5-3-7)6-12-8-9(16)13-10(17)15-14-8/h7,18H,2-6H2,1H3,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of -0.19, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 65118751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).