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

C11H15F2N5 — CID 133365986

IUPAC3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)CCNc1ccc2nnc(C(F)F)n2n1
InChIInChI=1S/C11H15F2N5/c1-7(2)5-6-14-8-3-4-9-15-16-11(10(12)13)18(9)17-8/h3-4,7,10H,5-6H2,1-2H3,(H,14,17)
InChIKeyDSDRUYRODGGZDU-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.52
Rot. Bonds5

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

3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133365986) has the molecular formula C11H15F2N5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133365986
Molecular FormulaC11H15F2N5
Molecular Weight255.27 g/mol
Exact Mass255.13
IUPAC Name3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)CCNc1ccc2nnc(C(F)F)n2n1
InChIInChI=1S/C11H15F2N5/c1-7(2)5-6-14-8-3-4-9-15-16-11(10(12)13)18(9)17-8/h3-4,7,10H,5-6H2,1-2H3,(H,14,17)
InChIKeyDSDRUYRODGGZDU-UHFFFAOYSA-N
XLogP2.52
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133366197
4-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-phenylbutan-2-ol
CID 133495844
methyl 3-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,2-dimethylpropanoate
CID 133429927
2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide
CID 133443835
N-[1-(4-chlorophenyl)-3-methylbutyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428100
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133429719
3-(difluoromethyl)-N-(2,2-dimethyl-1-phenylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133429770
ethyl 3-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butanoate
CID 133430408
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428865
methyl 3-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,2,3-trimethylbutanoate
CID 133429790
methyl 3-[[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-4-fluorobenzoate
CID 133449619
N-[1-(3-bromophenyl)-2-methylpropan-2-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133430055

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133365986) is 3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)CCNc1ccc2nnc(C(F)F)n2n1.
What is the InChIKey of 3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is DSDRUYRODGGZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5/c1-7(2)5-6-14-8-3-4-9-15-16-11(10(12)13)18(9)17-8/h3-4,7,10H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 255.27 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133365986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).