(3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone

C11H10N2O2 — CID 105099114

IUPAC(3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone
SMILESCc1cc(C(=O)c2ccoc2)c(C)nn1
InChIInChI=1S/C11H10N2O2/c1-7-5-10(8(2)13-12-7)11(14)9-3-4-15-6-9/h3-6H,1-2H3
InChIKeyJMGHLVOYCGDNIQ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.92
Rot. Bonds2

About (3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone

(3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone (PubChem CID 105099114) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone
PubChem CID105099114
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone
SMILESCc1cc(C(=O)c2ccoc2)c(C)nn1
InChIInChI=1S/C11H10N2O2/c1-7-5-10(8(2)13-12-7)11(14)9-3-4-15-6-9/h3-6H,1-2H3
InChIKeyJMGHLVOYCGDNIQ-UHFFFAOYSA-N
XLogP1.92
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone
CID 105078698
furan-3-yl-(2-methylfuran-3-yl)methanone
CID 104789242
(1,5-dimethylpyrazol-4-yl)-(furan-3-yl)methanone
CID 105099168
furan-3-yl-(5-methylfuran-3-yl)methanone
CID 114971729
(3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 105101644
furan-3-yl-(4-methoxy-2-methylphenyl)methanone
CID 65313451
(3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105081876
(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
CID 105121617
(2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone
CID 43463819
furan-3-yl-(3-methylfuran-2-yl)methanone
CID 104799450
furan-3-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 114971760
N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671138

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone (CID 105099114) is (3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone is Cc1cc(C(=O)c2ccoc2)c(C)nn1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone?
The InChIKey is JMGHLVOYCGDNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-5-10(8(2)13-12-7)11(14)9-3-4-15-6-9/h3-6H,1-2H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone?
(3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone has a molecular weight of 202.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone is sourced from PubChem (CID 105099114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).