3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine

C14H14N4O2 — CID 52903888

IUPAC3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine
SMILESO=[N+]([O-])c1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C14H14N4O2/c19-18(20)12-5-3-4-11(10-12)13-6-7-14(16-15-13)17-8-1-2-9-17/h3-7,10H,1-2,8-9H2
InChIKeyHTGQVWLDKKJQNO-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.65
Rot. Bonds3

About 3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine

3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine (PubChem CID 52903888) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine
PubChem CID52903888
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine
SMILESO=[N+]([O-])c1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C14H14N4O2/c19-18(20)12-5-3-4-11(10-12)13-6-7-14(16-15-13)17-8-1-2-9-17/h3-7,10H,1-2,8-9H2
InChIKeyHTGQVWLDKKJQNO-UHFFFAOYSA-N
XLogP2.65
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine
CID 58006601
2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine
CID 59825455
4-(3-nitrophenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 142998023
2-cyclohexyl-5-[4-[6-(3-nitrophenyl)pyridazin-3-yl]piperazin-1-yl]-1,3,4-thiadiazole
CID 108772783
4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine
CID 66493923
3-(4-chlorophenyl)-6-[6-(3-nitrophenyl)pyridazin-3-yl]-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
CID 108777512
3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine
CID 75359389
5,7-dimethoxy-1'-[6-(3-nitrophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108771690
(3R)-N-(4-nitrophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866078
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide
CID 7422468
1-(3-nitrophenyl)pyrrolidine
CID 698267
3-(4-methylpiperidin-1-yl)-6-(4-nitrophenyl)pyridazine
CID 155759066

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine (CID 52903888) is 3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine is O=[N+]([O-])c1cccc(-c2ccc(N3CCCC3)nn2)c1.
What is the InChIKey of 3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine?
The InChIKey is HTGQVWLDKKJQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-18(20)12-5-3-4-11(10-12)13-6-7-14(16-15-13)17-8-1-2-9-17/h3-7,10H,1-2,8-9H2.
What are the key properties of 3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine?
3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine has a molecular weight of 270.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 52903888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).