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

C19H21N5O — CID 133333569

IUPAC3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cccc(C2CCCN2c2ccc3nnc(C4CC4)n3n2)c1
InChIInChI=1S/C19H21N5O/c1-25-15-5-2-4-14(12-15)16-6-3-11-23(16)18-10-9-17-20-21-19(13-7-8-13)24(17)22-18/h2,4-5,9-10,12-13,16H,3,6-8,11H2,1H3
InChIKeyKLAOMENTQYHPGE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.35
Rot. Bonds4

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

3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133333569) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133333569
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cccc(C2CCCN2c2ccc3nnc(C4CC4)n3n2)c1
InChIInChI=1S/C19H21N5O/c1-25-15-5-2-4-14(12-15)16-6-3-11-23(16)18-10-9-17-20-21-19(13-7-8-13)24(17)22-18/h2,4-5,9-10,12-13,16H,3,6-8,11H2,1H3
InChIKeyKLAOMENTQYHPGE-UHFFFAOYSA-N
XLogP3.35
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 133333528
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]quinoline
CID 133331422
3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166279008
2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole
CID 125138384
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
3-tert-butyl-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488719
5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133369937
3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166183359
3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133308216
methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 97064012
3-cyclopropyl-6-[2-(2-phenylethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133406824
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 133333569) is 3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is COc1cccc(C2CCCN2c2ccc3nnc(C4CC4)n3n2)c1.
What is the InChIKey of 3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is KLAOMENTQYHPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-25-15-5-2-4-14(12-15)16-6-3-11-23(16)18-10-9-17-20-21-19(13-7-8-13)24(17)22-18/h2,4-5,9-10,12-13,16H,3,6-8,11H2,1H3.
What are the key properties of 3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 335.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133333569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).