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

C8H12N4O2 — CID 43410479

IUPAC6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C8H12N4O2/c1-11-7(13)6(9-5-3-4-5)10-12(2)8(11)14/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyMGOSAASONWTDDV-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.95
Rot. Bonds2

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

6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 43410479) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID43410479
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C8H12N4O2/c1-11-7(13)6(9-5-3-4-5)10-12(2)8(11)14/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyMGOSAASONWTDDV-UHFFFAOYSA-N
XLogP-0.95
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 43410479) is 6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NC2CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is MGOSAASONWTDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-11-7(13)6(9-5-3-4-5)10-12(2)8(11)14/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 196.21 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).