6-(3-hydroxypropyl)-2-methylpyridazin-3-one

C8H12N2O2 — CID 52946663

IUPAC6-(3-hydroxypropyl)-2-methylpyridazin-3-one
SMILESCn1nc(CCCO)ccc1=O
InChIInChI=1S/C8H12N2O2/c1-10-8(12)5-4-7(9-10)3-2-6-11/h4-5,11H,2-3,6H2,1H3
InChIKeyLUJFCDJRFDZDEZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.29
Rot. Bonds3

About 6-(3-hydroxypropyl)-2-methylpyridazin-3-one

6-(3-hydroxypropyl)-2-methylpyridazin-3-one (PubChem CID 52946663) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-2-methylpyridazin-3-one
PubChem CID52946663
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-(3-hydroxypropyl)-2-methylpyridazin-3-one
SMILESCn1nc(CCCO)ccc1=O
InChIInChI=1S/C8H12N2O2/c1-10-8(12)5-4-7(9-10)3-2-6-11/h4-5,11H,2-3,6H2,1H3
InChIKeyLUJFCDJRFDZDEZ-UHFFFAOYSA-N
XLogP-0.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(3-hydroxypropyl)-2-methylpyridazin-3-one (CID 52946663) is 6-(3-hydroxypropyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxypropyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(3-hydroxypropyl)-2-methylpyridazin-3-one is Cn1nc(CCCO)ccc1=O.
What is the InChIKey of 6-(3-hydroxypropyl)-2-methylpyridazin-3-one?
The InChIKey is LUJFCDJRFDZDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10-8(12)5-4-7(9-10)3-2-6-11/h4-5,11H,2-3,6H2,1H3.
What are the key properties of 6-(3-hydroxypropyl)-2-methylpyridazin-3-one?
6-(3-hydroxypropyl)-2-methylpyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 52946663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).