(2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide

C21H19N5O2 — CID 99757783

IUPAC(2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCc1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C21H19N5O2/c1-15(28-17-10-6-3-7-11-17)21(27)22-14-20-24-23-19-13-12-18(25-26(19)20)16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,22,27)/t15-/m1/s1
InChIKeyXTBKPKDMSPSDAA-OAHLLOKOSA-N
MW373.42 g/mol
LogP2.88
Rot. Bonds6

About (2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide

(2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide (PubChem CID 99757783) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide
PubChem CID99757783
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name(2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCc1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C21H19N5O2/c1-15(28-17-10-6-3-7-11-17)21(27)22-14-20-24-23-19-13-12-18(25-26(19)20)16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,22,27)/t15-/m1/s1
InChIKeyXTBKPKDMSPSDAA-OAHLLOKOSA-N
XLogP2.88
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide 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

(2S)-N-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2-phenylpropanamide
CID 99757799
N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2-phenoxyacetamide
CID 91893499
N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]phenyl]acetamide
CID 59338939
2-(4-ethoxyphenoxy)-N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]propanamide
CID 121059397
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
CID 91893423
2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide
CID 91893525
N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide
CID 91893399
3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 50905756
2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 43971607
(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 40987219

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide?
The IUPAC name of (2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide (CID 99757783) is (2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide is C[C@@H](Oc1ccccc1)C(=O)NCc1nnc2ccc(-c3ccccc3)nn12.
What is the InChIKey of (2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide?
The InChIKey is XTBKPKDMSPSDAA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-15(28-17-10-6-3-7-11-17)21(27)22-14-20-24-23-19-13-12-18(25-26(19)20)16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,22,27)/t15-/m1/s1.
What are the key properties of (2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide?
(2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide has a molecular weight of 373.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide is sourced from PubChem (CID 99757783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).