4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one

C12H14N4O2 — CID 20527806

IUPAC4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one
SMILESCC(O)Cn1nc(-c2ccncc2)cc(N)c1=O
InChIInChI=1S/C12H14N4O2/c1-8(17)7-16-12(18)10(13)6-11(15-16)9-2-4-14-5-3-9/h2-6,8,17H,7,13H2,1H3
InChIKeyFUZDRXWYLOQFPQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.27
Rot. Bonds3

About 4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one

4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one (PubChem CID 20527806) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one
PubChem CID20527806
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one
SMILESCC(O)Cn1nc(-c2ccncc2)cc(N)c1=O
InChIInChI=1S/C12H14N4O2/c1-8(17)7-16-12(18)10(13)6-11(15-16)9-2-4-14-5-3-9/h2-6,8,17H,7,13H2,1H3
InChIKeyFUZDRXWYLOQFPQ-UHFFFAOYSA-N
XLogP0.27
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one (CID 20527806) is 4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one is CC(O)Cn1nc(-c2ccncc2)cc(N)c1=O.
What is the InChIKey of 4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is FUZDRXWYLOQFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(17)7-16-12(18)10(13)6-11(15-16)9-2-4-14-5-3-9/h2-6,8,17H,7,13H2,1H3.
What are the key properties of 4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one?
4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 246.27 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 20527806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).