3-(6-ethoxypyridazin-3-yl)butan-1-ol

C10H16N2O2 — CID 57195840

IUPAC3-(6-ethoxypyridazin-3-yl)butan-1-ol
SMILESCCOc1ccc(C(C)CCO)nn1
InChIInChI=1S/C10H16N2O2/c1-3-14-10-5-4-9(11-12-10)8(2)6-7-13/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyOLZAVWQCGJMAJD-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.36
Rot. Bonds5

About 3-(6-ethoxypyridazin-3-yl)butan-1-ol

3-(6-ethoxypyridazin-3-yl)butan-1-ol (PubChem CID 57195840) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(6-ethoxypyridazin-3-yl)butan-1-ol.

Molecular Properties

Compound Name3-(6-ethoxypyridazin-3-yl)butan-1-ol
PubChem CID57195840
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(6-ethoxypyridazin-3-yl)butan-1-ol
SMILESCCOc1ccc(C(C)CCO)nn1
InChIInChI=1S/C10H16N2O2/c1-3-14-10-5-4-9(11-12-10)8(2)6-7-13/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyOLZAVWQCGJMAJD-UHFFFAOYSA-N
XLogP1.36
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxypyridazin-3-yl)butan-1-ol?
The IUPAC name of 3-(6-ethoxypyridazin-3-yl)butan-1-ol (CID 57195840) is 3-(6-ethoxypyridazin-3-yl)butan-1-ol.
What is the SMILES notation for 3-(6-ethoxypyridazin-3-yl)butan-1-ol?
The canonical SMILES for 3-(6-ethoxypyridazin-3-yl)butan-1-ol is CCOc1ccc(C(C)CCO)nn1.
What is the InChIKey of 3-(6-ethoxypyridazin-3-yl)butan-1-ol?
The InChIKey is OLZAVWQCGJMAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-14-10-5-4-9(11-12-10)8(2)6-7-13/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 3-(6-ethoxypyridazin-3-yl)butan-1-ol?
3-(6-ethoxypyridazin-3-yl)butan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxypyridazin-3-yl)butan-1-ol is sourced from PubChem (CID 57195840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).