4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C10H15F3N4 — CID 80508749

IUPAC4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCCN(CC(F)(F)F)c1nnccc1CN
InChIInChI=1S/C10H15F3N4/c1-2-5-17(7-10(11,12)13)9-8(6-14)3-4-15-16-9/h3-4H,2,5-7,14H2,1H3
InChIKeyFFZDKSUWIQJTBY-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.71
Rot. Bonds5

About 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 80508749) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID80508749
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCCN(CC(F)(F)F)c1nnccc1CN
InChIInChI=1S/C10H15F3N4/c1-2-5-17(7-10(11,12)13)9-8(6-14)3-4-15-16-9/h3-4H,2,5-7,14H2,1H3
InChIKeyFFZDKSUWIQJTBY-UHFFFAOYSA-N
XLogP1.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 80508749) is 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CCCN(CC(F)(F)F)c1nnccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is FFZDKSUWIQJTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-2-5-17(7-10(11,12)13)9-8(6-14)3-4-15-16-9/h3-4H,2,5-7,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 248.25 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 80508749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).