3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine

C18H21N3O — CID 97136625

IUPAC3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine
SMILESc1ccc2c(c1)C[C@H](Cc1ccc(N3CCCC3)nn1)CO2
InChIInChI=1S/C18H21N3O/c1-2-6-17-15(5-1)11-14(13-22-17)12-16-7-8-18(20-19-16)21-9-3-4-10-21/h1-2,5-8,14H,3-4,9-13H2/t14-/m1/s1
InChIKeyPXYIZOORIPDVSN-CQSZACIVSA-N
MW295.39 g/mol
LogP2.87
Rot. Bonds3

About 3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine

3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine (PubChem CID 97136625) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine
PubChem CID97136625
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine
SMILESc1ccc2c(c1)C[C@H](Cc1ccc(N3CCCC3)nn1)CO2
InChIInChI=1S/C18H21N3O/c1-2-6-17-15(5-1)11-14(13-22-17)12-16-7-8-18(20-19-16)21-9-3-4-10-21/h1-2,5-8,14H,3-4,9-13H2/t14-/m1/s1
InChIKeyPXYIZOORIPDVSN-CQSZACIVSA-N
XLogP2.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bta-188
CID 9579252
1-(4-Ethoxyphenyl)-4-(piperidin-1-yl)phthalazine
CID 6401112
MF-438
CID 16042458
2-Isopropyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)pyridazin-3-yl)-1,3,4-thiadiazole
CID 46225522
2-Isobutyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)pyridazin-3-yl)-1,3,4-thiadiazole
CID 46225523
Cyclohexyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 654107
4-[6-(2-Phenylmethoxyphenyl)pyridazin-3-yl]morpholine
CID 46226110
4-[6-[2-(Trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine
CID 46226071
3-[4-[1-(2,3-Dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6-(trifluoromethyl)pyridazine
CID 130366506
4-Piperidinol, 1-(6-(4-methoxyphenyl)-3-pyridazinyl)-
CID 3022105
Cyclopentyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 6411203
N,N-diethyl-6-(3-methoxyphenyl)pyridazin-3-amine
CID 71528508

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine (CID 97136625) is 3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine is c1ccc2c(c1)C[C@H](Cc1ccc(N3CCCC3)nn1)CO2.
What is the InChIKey of 3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine?
The InChIKey is PXYIZOORIPDVSN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-6-17-15(5-1)11-14(13-22-17)12-16-7-8-18(20-19-16)21-9-3-4-10-21/h1-2,5-8,14H,3-4,9-13H2/t14-/m1/s1.
What are the key properties of 3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine?
3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine has a molecular weight of 295.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 97136625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).