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

C11H19N5O2 — CID 103626735

IUPAC2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione
SMILESCN1CCCC1CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O2/c1-14-6-4-5-8(14)7-12-9-10(17)15(2)11(18)16(3)13-9/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyDGENMXWRFONJEM-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.01
Rot. Bonds3

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

2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione (PubChem CID 103626735) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione
PubChem CID103626735
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione
SMILESCN1CCCC1CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O2/c1-14-6-4-5-8(14)7-12-9-10(17)15(2)11(18)16(3)13-9/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyDGENMXWRFONJEM-UHFFFAOYSA-N
XLogP-1.01
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
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-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione (CID 103626735) is 2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione is CN1CCCC1CNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione?
The InChIKey is DGENMXWRFONJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-14-6-4-5-8(14)7-12-9-10(17)15(2)11(18)16(3)13-9/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione has a molecular weight of 253.31 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103626735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).