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

C22H21N5 — CID 133334498

IUPAC3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(CC(Nc2ccc3nnc(C4CC4)n3n2)c2ccccc2)cc1
InChIInChI=1S/C22H21N5/c1-3-7-16(8-4-1)15-19(17-9-5-2-6-10-17)23-20-13-14-21-24-25-22(18-11-12-18)27(21)26-20/h1-10,13-14,18-19H,11-12,15H2,(H,23,26)
InChIKeyRIXUPCDTDGWUCB-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.40
Rot. Bonds6

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

3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133334498) has the molecular formula C22H21N5 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133334498
Molecular FormulaC22H21N5
Molecular Weight355.44 g/mol
Exact Mass355.18
IUPAC Name3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(CC(Nc2ccc3nnc(C4CC4)n3n2)c2ccccc2)cc1
InChIInChI=1S/C22H21N5/c1-3-7-16(8-4-1)15-19(17-9-5-2-6-10-17)23-20-13-14-21-24-25-22(18-11-12-18)27(21)26-20/h1-10,13-14,18-19H,11-12,15H2,(H,23,26)
InChIKeyRIXUPCDTDGWUCB-UHFFFAOYSA-N
XLogP4.40
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295175
3-cyclopropyl-N-(3-morpholin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294788
N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 71685166
N-[2-(oxolan-3-yl)-1-phenylethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133413517
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-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133383342
N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133305056
N-(1-phenylpent-4-enyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133394890
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2-phenylacetamide
CID 134802364
3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133325363
3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 39335688

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133334498) is 3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1ccc(CC(Nc2ccc3nnc(C4CC4)n3n2)c2ccccc2)cc1.
What is the InChIKey of 3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is RIXUPCDTDGWUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-3-7-16(8-4-1)15-19(17-9-5-2-6-10-17)23-20-13-14-21-24-25-22(18-11-12-18)27(21)26-20/h1-10,13-14,18-19H,11-12,15H2,(H,23,26).
What are the key properties of 3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 355.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1,2-diphenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133334498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).