3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C23H23N5O — CID 47983521

IUPAC3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(-c2nnc3ccc(NCC4CCCOC4c4ccccc4)nn23)cc1
InChIInChI=1S/C23H23N5O/c1-3-8-17(9-4-1)22-19(12-7-15-29-22)16-24-20-13-14-21-25-26-23(28(21)27-20)18-10-5-2-6-11-18/h1-6,8-11,13-14,19,22H,7,12,15-16H2,(H,24,27)
InChIKeyYJYVRIZPKFZLAF-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.37
Rot. Bonds5

About 3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 47983521) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID47983521
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(-c2nnc3ccc(NCC4CCCOC4c4ccccc4)nn23)cc1
InChIInChI=1S/C23H23N5O/c1-3-8-17(9-4-1)22-19(12-7-15-29-22)16-24-20-13-14-21-25-26-23(28(21)27-20)18-10-5-2-6-11-18/h1-6,8-11,13-14,19,22H,7,12,15-16H2,(H,24,27)
InChIKeyYJYVRIZPKFZLAF-UHFFFAOYSA-N
XLogP4.37
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[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-(2-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133353323
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160951
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160952
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133399621
N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 166296830
1,3-dimethyl-4-nitro-N-[(2-phenyloxan-3-yl)methyl]pyrazol-5-amine
CID 47983510
3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 127922082
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
N-[[(2S)-oxolan-2-yl]methyl]-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7099267
N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133304991
2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine
CID 133332206
N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918244

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 47983521) is 3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1ccc(-c2nnc3ccc(NCC4CCCOC4c4ccccc4)nn23)cc1.
What is the InChIKey of 3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is YJYVRIZPKFZLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-3-8-17(9-4-1)22-19(12-7-15-29-22)16-24-20-13-14-21-25-26-23(28(21)27-20)18-10-5-2-6-11-18/h1-6,8-11,13-14,19,22H,7,12,15-16H2,(H,24,27).
What are the key properties of 3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 385.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 47983521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).