3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride

C16H22ClN5O — CID 45262908

IUPAC3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride
SMILESCl.Nc1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChIInChI=1S/C16H21N5O.ClH/c17-14-12-15(13-4-2-1-3-5-13)19-20-16(14)18-6-7-21-8-10-22-11-9-21;/h1-5,12H,6-11H2,(H2,17,19)(H,18,20);1H
InChIKeyXNSHMLBCXJWGQQ-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.89
Rot. Bonds5

About 3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride

3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride (PubChem CID 45262908) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is 3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride.

Molecular Properties

Compound Name3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride
PubChem CID45262908
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride
SMILESCl.Nc1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChIInChI=1S/C16H21N5O.ClH/c17-14-12-15(13-4-2-1-3-5-13)19-20-16(14)18-6-7-21-8-10-22-11-9-21;/h1-5,12H,6-11H2,(H2,17,19)(H,18,20);1H
InChIKeyXNSHMLBCXJWGQQ-UHFFFAOYSA-N
XLogP1.89
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid
CID 15678720
4-methyl-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride
CID 6410830
N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine
CID 6416457
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine
CID 89282935
4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride
CID 6410843
2-N-(2-morpholin-4-ylethyl)pyridine-2,3-diamine
CID 14417721
4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine
CID 59867380
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
5-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
CID 13218688
4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932516
2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933250

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride?
The IUPAC name of 3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride (CID 45262908) is 3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride.
What is the SMILES notation for 3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride?
The canonical SMILES for 3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride is Cl.Nc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.
What is the InChIKey of 3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride?
The InChIKey is XNSHMLBCXJWGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.ClH/c17-14-12-15(13-4-2-1-3-5-13)19-20-16(14)18-6-7-21-8-10-22-11-9-21;/h1-5,12H,6-11H2,(H2,17,19)(H,18,20);1H.
What are the key properties of 3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride?
3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride is sourced from PubChem (CID 45262908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).