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

C12H20N4O2 — CID 115881029

IUPAC6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCC(C)(C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O2/c1-12(2)6-5-8(7-12)13-9-10(17)15(3)11(18)16(4)14-9/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyZOGZEMSYTYLJIM-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.47
Rot. Bonds2

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

6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 115881029) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID115881029
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCC(C)(C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O2/c1-12(2)6-5-8(7-12)13-9-10(17)15(3)11(18)16(4)14-9/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyZOGZEMSYTYLJIM-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 6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 115881029) is 6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NC2CCC(C)(C)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is ZOGZEMSYTYLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2)6-5-8(7-12)13-9-10(17)15(3)11(18)16(4)14-9/h8H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-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 6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 115881029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).