N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine

C21H21N5O3 — CID 108773204

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine
SMILESO=[N+]([O-])c1cccc(-c2ccc(Nc3ccc(CN4CCOCC4)cc3)nn2)c1
InChIInChI=1S/C21H21N5O3/c27-26(28)19-3-1-2-17(14-19)20-8-9-21(24-23-20)22-18-6-4-16(5-7-18)15-25-10-12-29-13-11-25/h1-9,14H,10-13,15H2,(H,22,24)
InChIKeySIWJSBZQFHXMJB-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.63
Rot. Bonds6

About N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine

N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine (PubChem CID 108773204) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine
PubChem CID108773204
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine
SMILESO=[N+]([O-])c1cccc(-c2ccc(Nc3ccc(CN4CCOCC4)cc3)nn2)c1
InChIInChI=1S/C21H21N5O3/c27-26(28)19-3-1-2-17(14-19)20-8-9-21(24-23-20)22-18-6-4-16(5-7-18)15-25-10-12-29-13-11-25/h1-9,14H,10-13,15H2,(H,22,24)
InChIKeySIWJSBZQFHXMJB-UHFFFAOYSA-N
XLogP3.63
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

6-(morpholin-4-ylmethyl)-N-[6-(3-nitrophenyl)pyridazin-3-yl]-1,3-benzothiazol-2-amine
CID 108776638
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218
N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773217
2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-5-nitrobenzamide
CID 3495180
2-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]-5-nitrobenzamide
CID 3495181
4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 3665630
6-(morpholin-4-ylmethyl)-N-(6-phenylpyridazin-3-yl)-1,3-benzothiazol-2-amine
CID 108776640
N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide
CID 11743587
N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine
CID 108779413
6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-5-nitropyrimidin-4-amine
CID 108773252
3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine
CID 52903888
1-methyl-5-[[6-(3-nitrophenyl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile
CID 108775297

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine (CID 108773204) is N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine is O=[N+]([O-])c1cccc(-c2ccc(Nc3ccc(CN4CCOCC4)cc3)nn2)c1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine?
The InChIKey is SIWJSBZQFHXMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-26(28)19-3-1-2-17(14-19)20-8-9-21(24-23-20)22-18-6-4-16(5-7-18)15-25-10-12-29-13-11-25/h1-9,14H,10-13,15H2,(H,22,24).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine?
N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine has a molecular weight of 391.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine is sourced from PubChem (CID 108773204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).