1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine

C12H21N5 — CID 105363076

IUPAC1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine
SMILESCCc1nnc(N2CCC(NC)C2)nc1CC
InChIInChI=1S/C12H21N5/c1-4-10-11(5-2)15-16-12(14-10)17-7-6-9(8-17)13-3/h9,13H,4-8H2,1-3H3
InChIKeyYNJWPLVURQYOCT-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.79
Rot. Bonds4

About 1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine

1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine (PubChem CID 105363076) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine
PubChem CID105363076
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine
SMILESCCc1nnc(N2CCC(NC)C2)nc1CC
InChIInChI=1S/C12H21N5/c1-4-10-11(5-2)15-16-12(14-10)17-7-6-9(8-17)13-3/h9,13H,4-8H2,1-3H3
InChIKeyYNJWPLVURQYOCT-UHFFFAOYSA-N
XLogP0.79
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine (CID 105363076) is 1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine is CCc1nnc(N2CCC(NC)C2)nc1CC.
What is the InChIKey of 1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is YNJWPLVURQYOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-4-10-11(5-2)15-16-12(14-10)17-7-6-9(8-17)13-3/h9,13H,4-8H2,1-3H3.
What are the key properties of 1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine?
1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 105363076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).