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

C11H21N5O2 — CID 54940972

IUPAC6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)C(C)(C)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H21N5O2/c1-11(2,14(3)4)7-12-8-9(17)15(5)10(18)16(6)13-8/h7H2,1-6H3,(H,12,13)
InChIKeyWQMBDQBWBSIDFF-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.77
Rot. Bonds4

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

6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 54940972) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID54940972
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)C(C)(C)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H21N5O2/c1-11(2,14(3)4)7-12-8-9(17)15(5)10(18)16(6)13-8/h7H2,1-6H3,(H,12,13)
InChIKeyWQMBDQBWBSIDFF-UHFFFAOYSA-N
XLogP-0.77
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 54940972) is 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CN(C)C(C)(C)CNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is WQMBDQBWBSIDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-11(2,14(3)4)7-12-8-9(17)15(5)10(18)16(6)13-8/h7H2,1-6H3,(H,12,13).
What are the key properties of 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 255.32 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54940972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).