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

C14H24N4O3 — CID 65118665

IUPAC6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2(O)CCC(C)(C)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-13(2)5-7-14(21,8-6-13)9-15-10-11(19)17(3)12(20)18(4)16-10/h21H,5-9H2,1-4H3,(H,15,16)
InChIKeyFNBCEJJFCKFVBK-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.22
Rot. Bonds3

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

6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 65118665) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID65118665
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2(O)CCC(C)(C)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-13(2)5-7-14(21,8-6-13)9-15-10-11(19)17(3)12(20)18(4)16-10/h21H,5-9H2,1-4H3,(H,15,16)
InChIKeyFNBCEJJFCKFVBK-UHFFFAOYSA-N
XLogP0.22
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 65118665) is 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC2(O)CCC(C)(C)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is FNBCEJJFCKFVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-13(2)5-7-14(21,8-6-13)9-15-10-11(19)17(3)12(20)18(4)16-10/h21H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 296.37 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 65118665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).