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

C11H19N5O2 — CID 43646887

IUPAC6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCCNC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O2/c1-15-10(17)9(14-16(2)11(15)18)13-7-3-6-12-8-4-5-8/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyAFVREWUBULATAC-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.97
Rot. Bonds6

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

6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 43646887) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID43646887
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCCNC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O2/c1-15-10(17)9(14-16(2)11(15)18)13-7-3-6-12-8-4-5-8/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyAFVREWUBULATAC-UHFFFAOYSA-N
XLogP-0.97
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 43646887) is 6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCCCNC2CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is AFVREWUBULATAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-15-10(17)9(14-16(2)11(15)18)13-7-3-6-12-8-4-5-8/h8,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 253.31 g/mol, XLogP of -0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43646887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).