3-imidazol-1-yl-5-methoxy-4-methylpyridazine

C9H10N4O — CID 22240152

IUPAC3-imidazol-1-yl-5-methoxy-4-methylpyridazine
SMILESCOc1cnnc(-n2ccnc2)c1C
InChIInChI=1S/C9H10N4O/c1-7-8(14-2)5-11-12-9(7)13-4-3-10-6-13/h3-6H,1-2H3
InChIKeyTXKROJBBTOKASZ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.98
Rot. Bonds2

About 3-imidazol-1-yl-5-methoxy-4-methylpyridazine

3-imidazol-1-yl-5-methoxy-4-methylpyridazine (PubChem CID 22240152) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-imidazol-1-yl-5-methoxy-4-methylpyridazine.

Molecular Properties

Compound Name3-imidazol-1-yl-5-methoxy-4-methylpyridazine
PubChem CID22240152
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-imidazol-1-yl-5-methoxy-4-methylpyridazine
SMILESCOc1cnnc(-n2ccnc2)c1C
InChIInChI=1S/C9H10N4O/c1-7-8(14-2)5-11-12-9(7)13-4-3-10-6-13/h3-6H,1-2H3
InChIKeyTXKROJBBTOKASZ-UHFFFAOYSA-N
XLogP0.98
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-5-methoxy-4-methylpyridazine?
The IUPAC name of 3-imidazol-1-yl-5-methoxy-4-methylpyridazine (CID 22240152) is 3-imidazol-1-yl-5-methoxy-4-methylpyridazine.
What is the SMILES notation for 3-imidazol-1-yl-5-methoxy-4-methylpyridazine?
The canonical SMILES for 3-imidazol-1-yl-5-methoxy-4-methylpyridazine is COc1cnnc(-n2ccnc2)c1C.
What is the InChIKey of 3-imidazol-1-yl-5-methoxy-4-methylpyridazine?
The InChIKey is TXKROJBBTOKASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-7-8(14-2)5-11-12-9(7)13-4-3-10-6-13/h3-6H,1-2H3.
What are the key properties of 3-imidazol-1-yl-5-methoxy-4-methylpyridazine?
3-imidazol-1-yl-5-methoxy-4-methylpyridazine has a molecular weight of 190.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-5-methoxy-4-methylpyridazine is sourced from PubChem (CID 22240152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).