6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C17H19N5O2 — CID 102567910

IUPAC6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2ccc3nnc(C4CCCN4)n3n2)cc1OC
InChIInChI=1S/C17H19N5O2/c1-23-14-7-5-11(10-15(14)24-2)12-6-8-16-19-20-17(22(16)21-12)13-4-3-9-18-13/h5-8,10,13,18H,3-4,9H2,1-2H3
InChIKeyUVAVSOOQMAPOOY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.23
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 102567910) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID102567910
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2ccc3nnc(C4CCCN4)n3n2)cc1OC
InChIInChI=1S/C17H19N5O2/c1-23-14-7-5-11(10-15(14)24-2)12-6-8-16-19-20-17(22(16)21-12)13-4-3-9-18-13/h5-8,10,13,18H,3-4,9H2,1-2H3
InChIKeyUVAVSOOQMAPOOY-UHFFFAOYSA-N
XLogP2.23
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-bromophenyl)-3-[(2S)-pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982175
6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride
CID 138987947
6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982464
6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982435
6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84696751
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84700446
2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569152
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
N-cyclopentyl-2-[[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 7531282
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120111
5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole
CID 84610599
8-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750915

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 102567910) is 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(-c2ccc3nnc(C4CCCN4)n3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is UVAVSOOQMAPOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-14-7-5-11(10-15(14)24-2)12-6-8-16-19-20-17(22(16)21-12)13-4-3-9-18-13/h5-8,10,13,18H,3-4,9H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 325.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 102567910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).