(5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate

C15H17N3O3 — CID 68897694

IUPAC(5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate
SMILESCCn1nc(-c2ccccc2)c(COC(C)=O)c(N)c1=O
InChIInChI=1S/C15H17N3O3/c1-3-18-15(20)13(16)12(9-21-10(2)19)14(17-18)11-7-5-4-6-8-11/h4-8H,3,9,16H2,1-2H3
InChIKeyKVTVQMCTIJNYGB-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.58
Rot. Bonds4

About (5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate

(5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate (PubChem CID 68897694) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate.

Molecular Properties

Compound Name(5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate
PubChem CID68897694
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate
SMILESCCn1nc(-c2ccccc2)c(COC(C)=O)c(N)c1=O
InChIInChI=1S/C15H17N3O3/c1-3-18-15(20)13(16)12(9-21-10(2)19)14(17-18)11-7-5-4-6-8-11/h4-8H,3,9,16H2,1-2H3
InChIKeyKVTVQMCTIJNYGB-UHFFFAOYSA-N
XLogP1.58
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate?
The IUPAC name of (5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate (CID 68897694) is (5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate.
What is the SMILES notation for (5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate?
The canonical SMILES for (5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate is CCn1nc(-c2ccccc2)c(COC(C)=O)c(N)c1=O.
What is the InChIKey of (5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate?
The InChIKey is KVTVQMCTIJNYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-18-15(20)13(16)12(9-21-10(2)19)14(17-18)11-7-5-4-6-8-11/h4-8H,3,9,16H2,1-2H3.
What are the key properties of (5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate?
(5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate has a molecular weight of 287.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate is sourced from PubChem (CID 68897694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).