5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol

C16H20N6O3 — CID 159028155

IUPAC5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol
SMILESCOc1cnnc(CO)c1.COc1cnnc(Cn2ccnc2C)c1
InChIInChI=1S/C10H12N4O.C6H8N2O2/c1-8-11-3-4-14(8)7-9-5-10(15-2)6-12-13-9;1-10-6-2-5(4-9)8-7-3-6/h3-6H,7H2,1-2H3;2-3,9H,4H2,1H3
InChIKeyJUNPMCRGMMHUNO-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.02
Rot. Bonds5

About 5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol

5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol (PubChem CID 159028155) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol.

Molecular Properties

Compound Name5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol
PubChem CID159028155
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol
SMILESCOc1cnnc(CO)c1.COc1cnnc(Cn2ccnc2C)c1
InChIInChI=1S/C10H12N4O.C6H8N2O2/c1-8-11-3-4-14(8)7-9-5-10(15-2)6-12-13-9;1-10-6-2-5(4-9)8-7-3-6/h3-6H,7H2,1-2H3;2-3,9H,4H2,1H3
InChIKeyJUNPMCRGMMHUNO-UHFFFAOYSA-N
XLogP1.02
TPSA108.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 22240312
5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 11789025
5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride
CID 22240110
[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 62018219
5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 10359623
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 154890867
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61492962
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
CID 43134621

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol?
The IUPAC name of 5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol (CID 159028155) is 5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol.
What is the SMILES notation for 5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol?
The canonical SMILES for 5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol is COc1cnnc(CO)c1.COc1cnnc(Cn2ccnc2C)c1.
What is the InChIKey of 5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol?
The InChIKey is JUNPMCRGMMHUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O.C6H8N2O2/c1-8-11-3-4-14(8)7-9-5-10(15-2)6-12-13-9;1-10-6-2-5(4-9)8-7-3-6/h3-6H,7H2,1-2H3;2-3,9H,4H2,1H3.
What are the key properties of 5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol?
5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol has a molecular weight of 344.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol is sourced from PubChem (CID 159028155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).