5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid

C15H15N3O3 — CID 162624362

IUPAC5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid
SMILESNc1c(C(=O)O)c(-c2ccccc2)nn(CC2CC2)c1=O
InChIInChI=1S/C15H15N3O3/c16-12-11(15(20)21)13(10-4-2-1-3-5-10)17-18(14(12)19)8-9-6-7-9/h1-5,9H,6-8,16H2,(H,20,21)
InChIKeyQSIZIACRVDJVPH-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.60
Rot. Bonds4

About 5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid

5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid (PubChem CID 162624362) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid
PubChem CID162624362
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid
SMILESNc1c(C(=O)O)c(-c2ccccc2)nn(CC2CC2)c1=O
InChIInChI=1S/C15H15N3O3/c16-12-11(15(20)21)13(10-4-2-1-3-5-10)17-18(14(12)19)8-9-6-7-9/h1-5,9H,6-8,16H2,(H,20,21)
InChIKeyQSIZIACRVDJVPH-UHFFFAOYSA-N
XLogP1.60
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid?
The IUPAC name of 5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid (CID 162624362) is 5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid?
The canonical SMILES for 5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid is Nc1c(C(=O)O)c(-c2ccccc2)nn(CC2CC2)c1=O.
What is the InChIKey of 5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid?
The InChIKey is QSIZIACRVDJVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-12-11(15(20)21)13(10-4-2-1-3-5-10)17-18(14(12)19)8-9-6-7-9/h1-5,9H,6-8,16H2,(H,20,21).
What are the key properties of 5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid?
5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid is sourced from PubChem (CID 162624362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).