2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione

C11H19N5O2 — CID 55023157

IUPAC2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCN2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O2/c1-14-10(17)9(13-15(2)11(14)18)12-5-8-16-6-3-4-7-16/h3-8H2,1-2H3,(H,12,13)
InChIKeyLVXLJJJXXAKLIN-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.01
Rot. Bonds4

About 2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione (PubChem CID 55023157) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione
PubChem CID55023157
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCN2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O2/c1-14-10(17)9(13-15(2)11(14)18)12-5-8-16-6-3-4-7-16/h3-8H2,1-2H3,(H,12,13)
InChIKeyLVXLJJJXXAKLIN-UHFFFAOYSA-N
XLogP-1.01
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione (CID 55023157) is 2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione is Cn1nc(NCCN2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is LVXLJJJXXAKLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-14-10(17)9(13-15(2)11(14)18)12-5-8-16-6-3-4-7-16/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 253.31 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(2-pyrrolidin-1-ylethylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55023157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).