4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C12H19F3N4 — CID 80507441

IUPAC4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCc1nnc(N(C)CC(F)(F)F)c(CN)c1CC
InChIInChI=1S/C12H19F3N4/c1-4-8-9(6-16)11(18-17-10(8)5-2)19(3)7-12(13,14)15/h4-7,16H2,1-3H3
InChIKeyBOTUMIYNZXOPDI-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.06
Rot. Bonds5

About 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 80507441) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID80507441
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCc1nnc(N(C)CC(F)(F)F)c(CN)c1CC
InChIInChI=1S/C12H19F3N4/c1-4-8-9(6-16)11(18-17-10(8)5-2)19(3)7-12(13,14)15/h4-7,16H2,1-3H3
InChIKeyBOTUMIYNZXOPDI-UHFFFAOYSA-N
XLogP2.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.06
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-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 80507441) is 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CCc1nnc(N(C)CC(F)(F)F)c(CN)c1CC.
What is the InChIKey of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is BOTUMIYNZXOPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-4-8-9(6-16)11(18-17-10(8)5-2)19(3)7-12(13,14)15/h4-7,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 276.31 g/mol, XLogP of 2.06, 5 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-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 80507441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).