N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H15BrClN5 — CID 133387538

IUPACN-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESClc1ccc(Br)c(CCNc2ccc3nnc(C4CC4)n3n2)c1
InChIInChI=1S/C16H15BrClN5/c17-13-4-3-12(18)9-11(13)7-8-19-14-5-6-15-20-21-16(10-1-2-10)23(15)22-14/h3-6,9-10H,1-2,7-8H2,(H,19,22)
InChIKeyFRHJMLREGOZPMY-UHFFFAOYSA-N
MW392.69 g/mol
LogP4.07
Rot. Bonds5

About N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133387538) has the molecular formula C16H15BrClN5 and a molecular weight of 392.69 g/mol. Its IUPAC name is N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133387538
Molecular FormulaC16H15BrClN5
Molecular Weight392.69 g/mol
Exact Mass391.02
IUPAC NameN-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESClc1ccc(Br)c(CCNc2ccc3nnc(C4CC4)n3n2)c1
InChIInChI=1S/C16H15BrClN5/c17-13-4-3-12(18)9-11(13)7-8-19-14-5-6-15-20-21-16(10-1-2-10)23(15)22-14/h3-6,9-10H,1-2,7-8H2,(H,19,22)
InChIKeyFRHJMLREGOZPMY-UHFFFAOYSA-N
XLogP4.07
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.69
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133325363
3-cyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294997
3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133458949
3-cyclopropyl-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295400
1-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 71977966
3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295075
3-cyclopropyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294585
3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133296676
3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295114
N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133387523
3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294975
3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133445550

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133387538) is N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Clc1ccc(Br)c(CCNc2ccc3nnc(C4CC4)n3n2)c1.
What is the InChIKey of N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FRHJMLREGOZPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN5/c17-13-4-3-12(18)9-11(13)7-8-19-14-5-6-15-20-21-16(10-1-2-10)23(15)22-14/h3-6,9-10H,1-2,7-8H2,(H,19,22).
What are the key properties of N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 392.69 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133387538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).