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

C13H22N4O2 — CID 103753735

IUPAC2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2(C)CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2/c1-13(7-5-4-6-8-13)9-14-10-11(18)16(2)12(19)17(3)15-10/h4-9H2,1-3H3,(H,14,15)
InChIKeyIBAYEVDLSQEBLI-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.86
Rot. Bonds3

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

2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione (PubChem CID 103753735) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione
PubChem CID103753735
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2(C)CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2/c1-13(7-5-4-6-8-13)9-14-10-11(18)16(2)12(19)17(3)15-10/h4-9H2,1-3H3,(H,14,15)
InChIKeyIBAYEVDLSQEBLI-UHFFFAOYSA-N
XLogP0.86
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione (CID 103753735) is 2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione is Cn1nc(NCC2(C)CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione?
The InChIKey is IBAYEVDLSQEBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(7-5-4-6-8-13)9-14-10-11(18)16(2)12(19)17(3)15-10/h4-9H2,1-3H3,(H,14,15).
What are the key properties of 2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione has a molecular weight of 266.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(1-methylcyclohexyl)methylamino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103753735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).