(3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone

C11H15N3O2 — CID 104671172

IUPAC(3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC(CO)C2)c(C)nn1
InChIInChI=1S/C11H15N3O2/c1-7-3-10(8(2)13-12-7)11(16)14-4-9(5-14)6-15/h3,9,15H,4-6H2,1-2H3
InChIKeyFSURDENYLHIHPJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.16
Rot. Bonds2

About (3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone

(3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 104671172) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID104671172
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC(CO)C2)c(C)nn1
InChIInChI=1S/C11H15N3O2/c1-7-3-10(8(2)13-12-7)11(16)14-4-9(5-14)6-15/h3,9,15H,4-6H2,1-2H3
InChIKeyFSURDENYLHIHPJ-UHFFFAOYSA-N
XLogP0.16
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,6-dimethylpyridazin-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115877445
(3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103879517
(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)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104671185
(3,6-dimethylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738116
(3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone
CID 104668832
[4-(1-chloroethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 106838983
(3-amino-5-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671650
[2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671724
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104672461
(3-aminopyrrolidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 113439379

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone (CID 104671172) is (3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone is Cc1cc(C(=O)N2CC(CO)C2)c(C)nn1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is FSURDENYLHIHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-3-10(8(2)13-12-7)11(16)14-4-9(5-14)6-15/h3,9,15H,4-6H2,1-2H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
(3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 221.26 g/mol, XLogP of 0.16, 2 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)-[3-(hydroxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 104671172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).