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

C10H19N5O2 — CID 82938623

IUPAC6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(CN(C)C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H19N5O2/c1-7(6-13(2)3)11-8-9(16)14(4)10(17)15(5)12-8/h7H,6H2,1-5H3,(H,11,12)
InChIKeyQWXWLYQGPDFJEK-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.16
Rot. Bonds4

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

6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 82938623) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID82938623
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(CN(C)C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H19N5O2/c1-7(6-13(2)3)11-8-9(16)14(4)10(17)15(5)12-8/h7H,6H2,1-5H3,(H,11,12)
InChIKeyQWXWLYQGPDFJEK-UHFFFAOYSA-N
XLogP-1.16
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 82938623) is 6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC(CN(C)C)Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is QWXWLYQGPDFJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-7(6-13(2)3)11-8-9(16)14(4)10(17)15(5)12-8/h7H,6H2,1-5H3,(H,11,12).
What are the key properties of 6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 241.29 g/mol, XLogP of -1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(dimethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 82938623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).