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

C8H14N4O2 — CID 43410480

IUPAC2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione
SMILESCCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O2/c1-4-5-9-6-7(13)11(2)8(14)12(3)10-6/h4-5H2,1-3H3,(H,9,10)
InChIKeyJWUDFWDKZRTJDM-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.70
Rot. Bonds3

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

2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione (PubChem CID 43410480) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione
PubChem CID43410480
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione
SMILESCCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O2/c1-4-5-9-6-7(13)11(2)8(14)12(3)10-6/h4-5H2,1-3H3,(H,9,10)
InChIKeyJWUDFWDKZRTJDM-UHFFFAOYSA-N
XLogP-0.70
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione (CID 43410480) is 2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione is CCCNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is JWUDFWDKZRTJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4-5-9-6-7(13)11(2)8(14)12(3)10-6/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 198.23 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(propylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).