3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C20H18N6 — CID 95298078

IUPAC3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1ccc(-c2nnc3ccc(N4CCC[C@H]4c4ccccn4)nn23)cc1
InChIInChI=1S/C20H18N6/c1-2-7-15(8-3-1)20-23-22-18-11-12-19(24-26(18)20)25-14-6-10-17(25)16-9-4-5-13-21-16/h1-5,7-9,11-13,17H,6,10,14H2/t17-/m0/s1
InChIKeyMKVFZPBKABJDJL-KRWDZBQOSA-N
MW342.41 g/mol
LogP3.53
Rot. Bonds3

About 3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 95298078) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID95298078
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1ccc(-c2nnc3ccc(N4CCC[C@H]4c4ccccn4)nn23)cc1
InChIInChI=1S/C20H18N6/c1-2-7-15(8-3-1)20-23-22-18-11-12-19(24-26(18)20)25-14-6-10-17(25)16-9-4-5-13-21-16/h1-5,7-9,11-13,17H,6,10,14H2/t17-/m0/s1
InChIKeyMKVFZPBKABJDJL-KRWDZBQOSA-N
XLogP3.53
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

6-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 154781825
2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine
CID 95298088
3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine
CID 66684411
[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol
CID 47060288
3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 122175944
tert-butyl N-[[3-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-2-yl]methyl]carbamate
CID 133397117
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 94546899
6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133322991
[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 47060299
2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide
CID 134802200
2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 167978249
N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 134801769

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 95298078) is 3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is c1ccc(-c2nnc3ccc(N4CCC[C@H]4c4ccccn4)nn23)cc1.
What is the InChIKey of 3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MKVFZPBKABJDJL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N6/c1-2-7-15(8-3-1)20-23-22-18-11-12-19(24-26(18)20)25-14-6-10-17(25)16-9-4-5-13-21-16/h1-5,7-9,11-13,17H,6,10,14H2/t17-/m0/s1.
What are the key properties of 3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 342.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 95298078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).