2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one

C9H14N2O2 — CID 78918600

IUPAC2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C(C)C(C)O)n1
InChIInChI=1S/C9H14N2O2/c1-6-4-5-9(13)11(10-6)7(2)8(3)12/h4-5,7-8,12H,1-3H3
InChIKeyNIOXLFMQDNBWOK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.49
Rot. Bonds2

About 2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one

2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one (PubChem CID 78918600) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one
PubChem CID78918600
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C(C)C(C)O)n1
InChIInChI=1S/C9H14N2O2/c1-6-4-5-9(13)11(10-6)7(2)8(3)12/h4-5,7-8,12H,1-3H3
InChIKeyNIOXLFMQDNBWOK-UHFFFAOYSA-N
XLogP0.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one (CID 78918600) is 2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(C(C)C(C)O)n1.
What is the InChIKey of 2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one?
The InChIKey is NIOXLFMQDNBWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-4-5-9(13)11(10-6)7(2)8(3)12/h4-5,7-8,12H,1-3H3.
What are the key properties of 2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one?
2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-yl)-6-methylpyridazin-3-one is sourced from PubChem (CID 78918600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).