3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine

C14H15N5O2 — CID 75359389

IUPAC3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine
SMILESO=[N+]([O-])c1ccc(-c2ccc(N3CCNCC3)nn2)cc1
InChIInChI=1S/C14H15N5O2/c20-19(21)12-3-1-11(2-4-12)13-5-6-14(17-16-13)18-9-7-15-8-10-18/h1-6,15H,7-10H2
InChIKeyJXVCWVWVIFLGHZ-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.46
Rot. Bonds3

About 3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine

3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine (PubChem CID 75359389) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine.

Molecular Properties

Compound Name3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine
PubChem CID75359389
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine
SMILESO=[N+]([O-])c1ccc(-c2ccc(N3CCNCC3)nn2)cc1
InChIInChI=1S/C14H15N5O2/c20-19(21)12-3-1-11(2-4-12)13-5-6-14(17-16-13)18-9-7-15-8-10-18/h1-6,15H,7-10H2
InChIKeyJXVCWVWVIFLGHZ-UHFFFAOYSA-N
XLogP1.46
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
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'}

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Related Compounds

3-(4-methylpiperidin-1-yl)-6-(4-nitrophenyl)pyridazine
CID 155759066
5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole
CID 59277047
3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine
CID 52903948
3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine
CID 52903888
1-nitro-4-(4-nitrophenyl)benzene;piperazine
CID 175101984
3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine
CID 58006601
4-nitro-N-(6-piperazin-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 165493887
4-(4-nitrophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
CID 63332999
(3R)-N-(4-nitrophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866078
4-(4-nitrophenyl)-6-(3-phenylpropyl)-2-piperazin-1-ylpyrimidine
CID 69184969
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide
CID 7422468
1-(6-methylpyridazin-3-yl)-4-(4-nitrophenyl)-1,4-diazepane
CID 133454249

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine?
The IUPAC name of 3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine (CID 75359389) is 3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine.
What is the SMILES notation for 3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine?
The canonical SMILES for 3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine is O=[N+]([O-])c1ccc(-c2ccc(N3CCNCC3)nn2)cc1.
What is the InChIKey of 3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine?
The InChIKey is JXVCWVWVIFLGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-19(21)12-3-1-11(2-4-12)13-5-6-14(17-16-13)18-9-7-15-8-10-18/h1-6,15H,7-10H2.
What are the key properties of 3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine?
3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine has a molecular weight of 285.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine is sourced from PubChem (CID 75359389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).