4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine

C13H21F3N4 — CID 80509025

IUPAC4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
SMILESCCc1nnc(N(C)CCC(F)(F)F)c(CN)c1CC
InChIInChI=1S/C13H21F3N4/c1-4-9-10(8-17)12(19-18-11(9)5-2)20(3)7-6-13(14,15)16/h4-8,17H2,1-3H3
InChIKeyAELKGJXVACMBFN-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.45
Rot. Bonds6

About 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine

4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine (PubChem CID 80509025) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
PubChem CID80509025
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
SMILESCCc1nnc(N(C)CCC(F)(F)F)c(CN)c1CC
InChIInChI=1S/C13H21F3N4/c1-4-9-10(8-17)12(19-18-11(9)5-2)20(3)7-6-13(14,15)16/h4-8,17H2,1-3H3
InChIKeyAELKGJXVACMBFN-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine (CID 80509025) is 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine is CCc1nnc(N(C)CCC(F)(F)F)c(CN)c1CC.
What is the InChIKey of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The InChIKey is AELKGJXVACMBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-4-9-10(8-17)12(19-18-11(9)5-2)20(3)7-6-13(14,15)16/h4-8,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine has a molecular weight of 290.33 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine is sourced from PubChem (CID 80509025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).