3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde

C9H11N3O — CID 168981472

IUPAC3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde
SMILESCc1ccnnc1C1CN(C=O)C1
InChIInChI=1S/C9H11N3O/c1-7-2-3-10-11-9(7)8-4-12(5-8)6-13/h2-3,6,8H,4-5H2,1H3
InChIKeyRMGVGWJQBNFTMP-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.34
Rot. Bonds2

About 3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde

3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde (PubChem CID 168981472) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde
PubChem CID168981472
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde
SMILESCc1ccnnc1C1CN(C=O)C1
InChIInChI=1S/C9H11N3O/c1-7-2-3-10-11-9(7)8-4-12(5-8)6-13/h2-3,6,8H,4-5H2,1H3
InChIKeyRMGVGWJQBNFTMP-UHFFFAOYSA-N
XLogP0.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde?
The IUPAC name of 3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde (CID 168981472) is 3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde.
What is the SMILES notation for 3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde?
The canonical SMILES for 3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde is Cc1ccnnc1C1CN(C=O)C1.
What is the InChIKey of 3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde?
The InChIKey is RMGVGWJQBNFTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-2-3-10-11-9(7)8-4-12(5-8)6-13/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde?
3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde has a molecular weight of 177.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyridazin-3-yl)azetidine-1-carbaldehyde is sourced from PubChem (CID 168981472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).