3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol

C10H16N2O — CID 130856881

IUPAC3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol
SMILESCc1ccc(C(O)CC(C)C)nn1
InChIInChI=1S/C10H16N2O/c1-7(2)6-10(13)9-5-4-8(3)11-12-9/h4-5,7,10,13H,6H2,1-3H3
InChIKeyWIQUOKNMZXUJOI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.86
Rot. Bonds3

About 3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol

3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol (PubChem CID 130856881) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol
PubChem CID130856881
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol
SMILESCc1ccc(C(O)CC(C)C)nn1
InChIInChI=1S/C10H16N2O/c1-7(2)6-10(13)9-5-4-8(3)11-12-9/h4-5,7,10,13H,6H2,1-3H3
InChIKeyWIQUOKNMZXUJOI-UHFFFAOYSA-N
XLogP1.86
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-3-methyl-2-(6-methylpyridazin-3-yl)butan-1-amine
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3-(3-bromopentan-2-yl)-6-methylpyridazine
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N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide
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(1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol
CID 149104383
3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine
CID 63199903
1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol
CID 118279687
3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol
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4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine
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CID 57071428

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol?
The IUPAC name of 3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol (CID 130856881) is 3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol?
The canonical SMILES for 3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol is Cc1ccc(C(O)CC(C)C)nn1.
What is the InChIKey of 3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol?
The InChIKey is WIQUOKNMZXUJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)6-10(13)9-5-4-8(3)11-12-9/h4-5,7,10,13H,6H2,1-3H3.
What are the key properties of 3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol?
3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol is sourced from PubChem (CID 130856881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).