2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione

C12H21N5O3 — CID 60964782

IUPAC2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione
SMILESCC(CN1CCOCC1)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N5O3/c1-9(8-17-4-6-20-7-5-17)13-10-11(18)15(2)12(19)16(3)14-10/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyGMDCZJQYWQMGEX-UHFFFAOYSA-N
MW283.33 g/mol
LogP-1.39
Rot. Bonds4

About 2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione (PubChem CID 60964782) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione
PubChem CID60964782
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione
SMILESCC(CN1CCOCC1)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N5O3/c1-9(8-17-4-6-20-7-5-17)13-10-11(18)15(2)12(19)16(3)14-10/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyGMDCZJQYWQMGEX-UHFFFAOYSA-N
XLogP-1.39
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione (CID 60964782) is 2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione is CC(CN1CCOCC1)Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is GMDCZJQYWQMGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-9(8-17-4-6-20-7-5-17)13-10-11(18)15(2)12(19)16(3)14-10/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 283.33 g/mol, XLogP of -1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(1-morpholin-4-ylpropan-2-ylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60964782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).