3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine

C17H19N5O2 — CID 58006601

IUPAC3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine
SMILESO=[N+]([O-])c1cccc(-c2ccc(N3CCN(C4CC4)CC3)nn2)c1
InChIInChI=1S/C17H19N5O2/c23-22(24)15-3-1-2-13(12-15)16-6-7-17(19-18-16)21-10-8-20(9-11-21)14-4-5-14/h1-3,6-7,12,14H,4-5,8-11H2
InChIKeyWCEJUNANDLEHON-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.34
Rot. Bonds4

About 3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine

3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine (PubChem CID 58006601) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine
PubChem CID58006601
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine
SMILESO=[N+]([O-])c1cccc(-c2ccc(N3CCN(C4CC4)CC3)nn2)c1
InChIInChI=1S/C17H19N5O2/c23-22(24)15-3-1-2-13(12-15)16-6-7-17(19-18-16)21-10-8-20(9-11-21)14-4-5-14/h1-3,6-7,12,14H,4-5,8-11H2
InChIKeyWCEJUNANDLEHON-UHFFFAOYSA-N
XLogP2.34
TPSA75.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine
CID 52903888
2-cyclohexyl-5-[4-[6-(3-nitrophenyl)pyridazin-3-yl]piperazin-1-yl]-1,3,4-thiadiazole
CID 108772783
3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride
CID 68858617
4-(4-cyclopentylpiperazin-1-yl)-6-methyl-2-(3-nitrophenyl)pyrimidine
CID 55827189
3-(4-methylpiperidin-1-yl)-6-(4-nitrophenyl)pyridazine
CID 155759066
2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine
CID 59825455
5,7-dimethoxy-1'-[6-(3-nitrophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108771690
3-(4-chlorophenyl)-6-[6-(3-nitrophenyl)pyridazin-3-yl]-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
CID 108777512
9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
CID 59818679
3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine
CID 75359389
4-(3-nitrophenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 142998023
2-chloro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-4-nitrobenzamide
CID 41077615

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine (CID 58006601) is 3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine is O=[N+]([O-])c1cccc(-c2ccc(N3CCN(C4CC4)CC3)nn2)c1.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine?
The InChIKey is WCEJUNANDLEHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-22(24)15-3-1-2-13(12-15)16-6-7-17(19-18-16)21-10-8-20(9-11-21)14-4-5-14/h1-3,6-7,12,14H,4-5,8-11H2.
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine?
3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine has a molecular weight of 325.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine is sourced from PubChem (CID 58006601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).