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

C11H19N5O2 — CID 63624542

IUPAC2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCC2CCNC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O2/c1-15-10(17)9(14-16(2)11(15)18)13-6-4-8-3-5-12-7-8/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyVOQCGIJBHWUJIR-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.11
Rot. Bonds4

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

2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione (PubChem CID 63624542) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione
PubChem CID63624542
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCC2CCNC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O2/c1-15-10(17)9(14-16(2)11(15)18)13-6-4-8-3-5-12-7-8/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyVOQCGIJBHWUJIR-UHFFFAOYSA-N
XLogP-1.11
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione (CID 63624542) is 2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione is Cn1nc(NCCC2CCNC2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is VOQCGIJBHWUJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-15-10(17)9(14-16(2)11(15)18)13-6-4-8-3-5-12-7-8/h8,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 253.31 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63624542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).