4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine

C17H21N5O3 — CID 6410844

IUPAC4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)nnc1NCCN1CCOCC1
InChIInChI=1S/C17H21N5O3/c1-13-12-16(14-2-4-15(5-3-14)22(23)24)19-20-17(13)18-6-7-21-8-10-25-11-9-21/h2-5,12H,6-11H2,1H3,(H,18,20)
InChIKeyMNJPGYJWXJESNZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.10
Rot. Bonds6

About 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine

4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine (PubChem CID 6410844) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine
PubChem CID6410844
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)nnc1NCCN1CCOCC1
InChIInChI=1S/C17H21N5O3/c1-13-12-16(14-2-4-15(5-3-14)22(23)24)19-20-17(13)18-6-7-21-8-10-25-11-9-21/h2-5,12H,6-11H2,1H3,(H,18,20)
InChIKeyMNJPGYJWXJESNZ-UHFFFAOYSA-N
XLogP2.10
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.10
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

Minaprine
CID 4199
Minaprine Hydrochloride
CID 33254
SR 95191
CID 72119
4-Morpholineethanamine, N-(4,6-diphenyl-3-pyridazinyl)-
CID 6410811
N-[2-(4-morpholinyl)ethyl]-6,7-dihydro-5H-benzo[2,3]cyclohepta[2,4-d]pyridazin-3-amine
CID 195165
4-Morpholineethanamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, monohydrochloride
CID 6410797
(5-Methyl-6-phenyl-pyridazin-3-yl)-(2-morpholin-4-yl-ethyl)-amine
CID 13218688
US11702418, Example 15-2
CID 156495642
(4-Morpholin-4-yl-phenyl)-(6-o-tolyl-pyridazin-3-yl)-amine
CID 646977
N-(4-methylphenyl)-6-[4-(4-nitrophenyl)piperazin-1-yl]pyridazin-3-amine
CID 2982536
N-(3-methylphenyl)-4-[4-(4-morpholinyl)-3-nitrophenyl]-1-phthalazinamine
CID 6411721
N-(4-methylphenyl)-4-(4-morpholin-4-yl-3-nitrophenyl)phthalazin-1-amine
CID 6418532

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine?
The IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine (CID 6410844) is 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine is Cc1cc(-c2ccc([N+](=O)[O-])cc2)nnc1NCCN1CCOCC1.
What is the InChIKey of 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine?
The InChIKey is MNJPGYJWXJESNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-13-12-16(14-2-4-15(5-3-14)22(23)24)19-20-17(13)18-6-7-21-8-10-25-11-9-21/h2-5,12H,6-11H2,1H3,(H,18,20).
What are the key properties of 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine?
4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine has a molecular weight of 343.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine is sourced from PubChem (CID 6410844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).