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

C12H20N4O2 — CID 43410494

IUPAC2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione
SMILESCC1CCC(Nc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C12H20N4O2/c1-8-4-6-9(7-5-8)13-10-11(17)15(2)12(18)16(3)14-10/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyJBDKZRAMTNDEDQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.47
Rot. Bonds2

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

2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione (PubChem CID 43410494) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione
PubChem CID43410494
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione
SMILESCC1CCC(Nc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C12H20N4O2/c1-8-4-6-9(7-5-8)13-10-11(17)15(2)12(18)16(3)14-10/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyJBDKZRAMTNDEDQ-UHFFFAOYSA-N
XLogP0.47
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.47
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-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione (CID 43410494) is 2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione is CC1CCC(Nc2nn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione?
The InChIKey is JBDKZRAMTNDEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-4-6-9(7-5-8)13-10-11(17)15(2)12(18)16(3)14-10/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione has a molecular weight of 252.32 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(4-methylcyclohexyl)amino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).