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

C17H23Cl2N5O3 — CID 6410843

IUPAC4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)nnc1NCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C17H21N5O3.2ClH/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);2*1H
InChIKeySJZBFTWJGIXDOU-UHFFFAOYSA-N
MW416.31 g/mol
LogP2.95
Rot. Bonds6

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

4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride (PubChem CID 6410843) has the molecular formula C17H23Cl2N5O3 and a molecular weight of 416.31 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride
PubChem CID6410843
Molecular FormulaC17H23Cl2N5O3
Molecular Weight416.31 g/mol
Exact Mass415.12
IUPAC Name4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)nnc1NCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C17H21N5O3.2ClH/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);2*1H
InChIKeySJZBFTWJGIXDOU-UHFFFAOYSA-N
XLogP2.95
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 52.95
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

4-methyl-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride
CID 6410830
4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903164
3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride
CID 45262908
3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid
CID 15678720
4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine
CID 59867380
N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526884
N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide
CID 11743587
1-N-methyl-3-N-(2-morpholin-4-ylethyl)-5-nitrobenzene-1,3-diamine
CID 80777688
1-(2-methyl-5-nitrophenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 8620220
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971
4-N-(5-chloro-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 23486009
N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophen-2-amine
CID 101493973

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride?
The IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride (CID 6410843) is 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride is Cc1cc(-c2ccc([N+](=O)[O-])cc2)nnc1NCCN1CCOCC1.Cl.Cl.
What is the InChIKey of 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride?
The InChIKey is SJZBFTWJGIXDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3.2ClH/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);2*1H.
What are the key properties of 4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride?
4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride has a molecular weight of 416.31 g/mol, XLogP of 2.95, 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;dihydrochloride is sourced from PubChem (CID 6410843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).