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

C11H20N4O3 — CID 61448486

IUPAC6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCCCN(CCO)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O3/c1-4-5-6-15(7-8-16)9-10(17)13(2)11(18)14(3)12-9/h16H,4-8H2,1-3H3
InChIKeyPVEZUYJUBNQFJY-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.92
Rot. Bonds6

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

6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 61448486) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID61448486
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCCCN(CCO)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O3/c1-4-5-6-15(7-8-16)9-10(17)13(2)11(18)14(3)12-9/h16H,4-8H2,1-3H3
InChIKeyPVEZUYJUBNQFJY-UHFFFAOYSA-N
XLogP-0.92
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 61448486) is 6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCCCN(CCO)c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is PVEZUYJUBNQFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-4-5-6-15(7-8-16)9-10(17)13(2)11(18)14(3)12-9/h16H,4-8H2,1-3H3.
What are the key properties of 6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 256.31 g/mol, XLogP of -0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61448486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).