(2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone

C13H12N2O3 — CID 105098338

IUPAC(2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone
SMILESCOc1ccc(OC)c(C(=O)c2ccnnc2)c1
InChIInChI=1S/C13H12N2O3/c1-17-10-3-4-12(18-2)11(7-10)13(16)9-5-6-14-15-8-9/h3-8H,1-2H3
InChIKeyMIENJCWDAPEDOB-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.72
Rot. Bonds4

About (2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone

(2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone (PubChem CID 105098338) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone
PubChem CID105098338
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name(2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone
SMILESCOc1ccc(OC)c(C(=O)c2ccnnc2)c1
InChIInChI=1S/C13H12N2O3/c1-17-10-3-4-12(18-2)11(7-10)13(16)9-5-6-14-15-8-9/h3-8H,1-2H3
InChIKeyMIENJCWDAPEDOB-UHFFFAOYSA-N
XLogP1.72
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone
CID 62802669
(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
CID 43337349
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337370
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(2,5-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 23913459
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide
CID 1377997
3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide
CID 2803430
(5-methoxy-2-pyridin-2-yloxyphenyl)-phenylmethanone
CID 154487334

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone?
The IUPAC name of (2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone (CID 105098338) is (2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone is COc1ccc(OC)c(C(=O)c2ccnnc2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone?
The InChIKey is MIENJCWDAPEDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-10-3-4-12(18-2)11(7-10)13(16)9-5-6-14-15-8-9/h3-8H,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone?
(2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone has a molecular weight of 244.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 105098338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).