(3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C11H15N3O2 — CID 103879517

IUPAC(3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@H](O)C2)c(C)nn1
InChIInChI=1S/C11H15N3O2/c1-7-5-10(8(2)13-12-7)11(16)14-4-3-9(15)6-14/h5,9,15H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyLNQCOLDDBOLLOI-VIFPVBQESA-N
MW221.26 g/mol
LogP0.30
Rot. Bonds1

About (3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

(3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 103879517) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID103879517
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@H](O)C2)c(C)nn1
InChIInChI=1S/C11H15N3O2/c1-7-5-10(8(2)13-12-7)11(16)14-4-3-9(15)6-14/h5,9,15H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyLNQCOLDDBOLLOI-VIFPVBQESA-N
XLogP0.30
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloropyrrolidin-1-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 104672469
(3-bromo-4-methylpiperidin-1-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 102962420
(3,6-dimethylpyridazin-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115877445
[4-(1-chloroethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 106838983
(3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104671172
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 111561787
(3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone
CID 104668832
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
[2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671724
(3,6-dichloropyridazin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291069
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 103879517) is (3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CC[C@H](O)C2)c(C)nn1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is LNQCOLDDBOLLOI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-5-10(8(2)13-12-7)11(16)14-4-3-9(15)6-14/h5,9,15H,3-4,6H2,1-2H3/t9-/m0/s1.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 221.26 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 103879517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).