2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde

C9H8N4O2 — CID 103375390

IUPAC2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde
SMILESCOc1ccc(-c2ncc(C=O)[nH]2)nn1
InChIInChI=1S/C9H8N4O2/c1-15-8-3-2-7(12-13-8)9-10-4-6(5-14)11-9/h2-5H,1H3,(H,10,11)
InChIKeyJPWXBXJHVDQTPL-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.69
Rot. Bonds3

About 2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde

2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde (PubChem CID 103375390) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde
PubChem CID103375390
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde
SMILESCOc1ccc(-c2ncc(C=O)[nH]2)nn1
InChIInChI=1S/C9H8N4O2/c1-15-8-3-2-7(12-13-8)9-10-4-6(5-14)11-9/h2-5H,1H3,(H,10,11)
InChIKeyJPWXBXJHVDQTPL-UHFFFAOYSA-N
XLogP0.69
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde
CID 103375163
2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 87404424
2-(3,4,5-trimethoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 95468133
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde
CID 82288230
6-methoxypyridazine-3-carbaldehyde
CID 13227306
4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 137012354
2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 80502436
2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde
CID 130933965
2-(1H-pyrrol-2-yl)-1H-imidazole-5-carbaldehyde
CID 87405990
2-(4,5-dimethoxy-2-nitrophenyl)-1H-imidazole-5-carbaldehyde
CID 87405399
6-methoxypyridine-3-carbaldehyde
CID 3364576

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde (CID 103375390) is 2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde is COc1ccc(-c2ncc(C=O)[nH]2)nn1.
What is the InChIKey of 2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde?
The InChIKey is JPWXBXJHVDQTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-15-8-3-2-7(12-13-8)9-10-4-6(5-14)11-9/h2-5H,1H3,(H,10,11).
What are the key properties of 2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde?
2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde has a molecular weight of 204.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 103375390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).