4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C11H17F3N4 — CID 55006874

IUPAC4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCN(CC(F)(F)F)c1nnc(C)c(C)c1CN
InChIInChI=1S/C11H17F3N4/c1-4-18(6-11(12,13)14)10-9(5-15)7(2)8(3)16-17-10/h4-6,15H2,1-3H3
InChIKeySLOWPOLYRMSLJO-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.94
Rot. Bonds4

About 4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 55006874) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID55006874
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCN(CC(F)(F)F)c1nnc(C)c(C)c1CN
InChIInChI=1S/C11H17F3N4/c1-4-18(6-11(12,13)14)10-9(5-15)7(2)8(3)16-17-10/h4-6,15H2,1-3H3
InChIKeySLOWPOLYRMSLJO-UHFFFAOYSA-N
XLogP1.94
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 55006874) is 4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CCN(CC(F)(F)F)c1nnc(C)c(C)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is SLOWPOLYRMSLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-4-18(6-11(12,13)14)10-9(5-15)7(2)8(3)16-17-10/h4-6,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 262.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 55006874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).