N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C14H12FN5 — CID 10333282

IUPACN-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1
InChIInChI=1S/C14H12FN5/c15-10-3-1-9(2-4-10)14-18-17-13-8-7-12(19-20(13)14)16-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,16,19)
InChIKeyKYZMNBAEVQEYRG-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.50
Rot. Bonds3

About N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 10333282) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID10333282
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC NameN-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1
InChIInChI=1S/C14H12FN5/c15-10-3-1-9(2-4-10)14-18-17-13-8-7-12(19-20(13)14)16-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,16,19)
InChIKeyKYZMNBAEVQEYRG-UHFFFAOYSA-N
XLogP2.50
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 10333282) is N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Fc1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1.
What is the InChIKey of N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KYZMNBAEVQEYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c15-10-3-1-9(2-4-10)14-18-17-13-8-7-12(19-20(13)14)16-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,16,19).
What are the key properties of N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 269.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 10333282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).