6-amino-2-(2-hydroxypropyl)pyridazin-3-one

C7H11N3O2 — CID 116788248

IUPAC6-amino-2-(2-hydroxypropyl)pyridazin-3-one
SMILESCC(O)Cn1nc(N)ccc1=O
InChIInChI=1S/C7H11N3O2/c1-5(11)4-10-7(12)3-2-6(8)9-10/h2-3,5,11H,4H2,1H3,(H2,8,9)
InChIKeyBGCPTSDRYFJTMF-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.79
Rot. Bonds2

About 6-amino-2-(2-hydroxypropyl)pyridazin-3-one

6-amino-2-(2-hydroxypropyl)pyridazin-3-one (PubChem CID 116788248) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-amino-2-(2-hydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(2-hydroxypropyl)pyridazin-3-one
PubChem CID116788248
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-amino-2-(2-hydroxypropyl)pyridazin-3-one
SMILESCC(O)Cn1nc(N)ccc1=O
InChIInChI=1S/C7H11N3O2/c1-5(11)4-10-7(12)3-2-6(8)9-10/h2-3,5,11H,4H2,1H3,(H2,8,9)
InChIKeyBGCPTSDRYFJTMF-UHFFFAOYSA-N
XLogP-0.79
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-hydroxypropyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(2-hydroxypropyl)pyridazin-3-one (CID 116788248) is 6-amino-2-(2-hydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(2-hydroxypropyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(2-hydroxypropyl)pyridazin-3-one is CC(O)Cn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-(2-hydroxypropyl)pyridazin-3-one?
The InChIKey is BGCPTSDRYFJTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(11)4-10-7(12)3-2-6(8)9-10/h2-3,5,11H,4H2,1H3,(H2,8,9).
What are the key properties of 6-amino-2-(2-hydroxypropyl)pyridazin-3-one?
6-amino-2-(2-hydroxypropyl)pyridazin-3-one has a molecular weight of 169.18 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-hydroxypropyl)pyridazin-3-one is sourced from PubChem (CID 116788248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).