(3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone

C12H12N4O — CID 105101394

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone
SMILESCCc1nnc(C)cc1C(=O)c1cnccn1
InChIInChI=1S/C12H12N4O/c1-3-10-9(6-8(2)15-16-10)12(17)11-7-13-4-5-14-11/h4-7H,3H2,1-2H3
InChIKeyDSWXXBGCMIGCSV-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.37
Rot. Bonds3

About (3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone

(3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone (PubChem CID 105101394) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone
PubChem CID105101394
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone
SMILESCCc1nnc(C)cc1C(=O)c1cnccn1
InChIInChI=1S/C12H12N4O/c1-3-10-9(6-8(2)15-16-10)12(17)11-7-13-4-5-14-11/h4-7H,3H2,1-2H3
InChIKeyDSWXXBGCMIGCSV-UHFFFAOYSA-N
XLogP1.37
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 114283513
(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105117340
(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone
CID 105085643
(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132806
(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone
CID 105081132
(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105093728
(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105098414
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone
CID 106864959
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105130889
3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104625733
(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
CID 105120129
(2-methylpyrimidin-4-yl)-pyrazin-2-ylmethanone
CID 115529870

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone (CID 105101394) is (3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone is CCc1nnc(C)cc1C(=O)c1cnccn1.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone?
The InChIKey is DSWXXBGCMIGCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-3-10-9(6-8(2)15-16-10)12(17)11-7-13-4-5-14-11/h4-7H,3H2,1-2H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone?
(3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone has a molecular weight of 228.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 105101394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).