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

C14H24N4O3 — CID 82765046

IUPAC6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC1(CC)CC(Nc2nn(C)c(=O)n(C)c2=O)CCO1
InChIInChI=1S/C14H24N4O3/c1-5-14(6-2)9-10(7-8-21-14)15-11-12(19)17(3)13(20)18(4)16-11/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyQQNFVEFSBBAKIH-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.63
Rot. Bonds4

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

6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 82765046) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID82765046
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC1(CC)CC(Nc2nn(C)c(=O)n(C)c2=O)CCO1
InChIInChI=1S/C14H24N4O3/c1-5-14(6-2)9-10(7-8-21-14)15-11-12(19)17(3)13(20)18(4)16-11/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyQQNFVEFSBBAKIH-UHFFFAOYSA-N
XLogP0.63
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 82765046) is 6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCC1(CC)CC(Nc2nn(C)c(=O)n(C)c2=O)CCO1.
What is the InChIKey of 6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is QQNFVEFSBBAKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-14(6-2)9-10(7-8-21-14)15-11-12(19)17(3)13(20)18(4)16-11/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 296.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 82765046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).