(6-amino-3-phenylpyridazin-4-yl) acetate

C12H11N3O2 — CID 110272658

IUPAC(6-amino-3-phenylpyridazin-4-yl) acetate
SMILESCC(=O)Oc1cc(N)nnc1-c1ccccc1
InChIInChI=1S/C12H11N3O2/c1-8(16)17-10-7-11(13)14-15-12(10)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14)
InChIKeyYAQKGTXJAAVUHA-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.65
Rot. Bonds2

About (6-amino-3-phenylpyridazin-4-yl) acetate

(6-amino-3-phenylpyridazin-4-yl) acetate (PubChem CID 110272658) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is (6-amino-3-phenylpyridazin-4-yl) acetate.

Molecular Properties

Compound Name(6-amino-3-phenylpyridazin-4-yl) acetate
PubChem CID110272658
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name(6-amino-3-phenylpyridazin-4-yl) acetate
SMILESCC(=O)Oc1cc(N)nnc1-c1ccccc1
InChIInChI=1S/C12H11N3O2/c1-8(16)17-10-7-11(13)14-15-12(10)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14)
InChIKeyYAQKGTXJAAVUHA-UHFFFAOYSA-N
XLogP1.65
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-5-phenylthiophen-3-yl) acetate
CID 174546159
(1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate
CID 110272835
(6-chloro-3-phenylpyridazin-4-yl) propan-2-ylsulfanylformate
CID 13279442
(2-hydroxy-5-phenylphenyl) acetate
CID 19755516
(2,4-diphenylphenyl) acetate
CID 57057849
[2-(3-aminophenyl)-3-pyridinyl] acetate
CID 174399068
6-phenyl-5-propylpyridazin-3-amine
CID 15743882
[4-(4-acetyloxy-3-aminophenyl)-2-aminophenyl] acetate
CID 172815309
(4-hydroxy-2-methyl-5-phenylphenyl) acetate
CID 10728858
(5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate
CID 121219116
(3,4-diphenyl-1,2-oxazol-5-yl) acetate
CID 57243538
[2-(4-aminophenyl)phenyl] acetate
CID 68788383

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-phenylpyridazin-4-yl) acetate?
The IUPAC name of (6-amino-3-phenylpyridazin-4-yl) acetate (CID 110272658) is (6-amino-3-phenylpyridazin-4-yl) acetate.
What is the SMILES notation for (6-amino-3-phenylpyridazin-4-yl) acetate?
The canonical SMILES for (6-amino-3-phenylpyridazin-4-yl) acetate is CC(=O)Oc1cc(N)nnc1-c1ccccc1.
What is the InChIKey of (6-amino-3-phenylpyridazin-4-yl) acetate?
The InChIKey is YAQKGTXJAAVUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-8(16)17-10-7-11(13)14-15-12(10)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14).
What are the key properties of (6-amino-3-phenylpyridazin-4-yl) acetate?
(6-amino-3-phenylpyridazin-4-yl) acetate has a molecular weight of 229.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-phenylpyridazin-4-yl) acetate is sourced from PubChem (CID 110272658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).