[3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride

C17H23ClN4O2 — CID 45262789

IUPAC[3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride
SMILESCl.OCc1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChIInChI=1S/C17H22N4O2.ClH/c22-13-15-12-16(14-4-2-1-3-5-14)19-20-17(15)18-6-7-21-8-10-23-11-9-21;/h1-5,12,22H,6-11,13H2,(H,18,20);1H
InChIKeyKJXWSOVUEKJNMA-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.80
Rot. Bonds6

About [3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride

[3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride (PubChem CID 45262789) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is [3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride
PubChem CID45262789
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name[3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride
SMILESCl.OCc1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChIInChI=1S/C17H22N4O2.ClH/c22-13-15-12-16(14-4-2-1-3-5-14)19-20-17(15)18-6-7-21-8-10-23-11-9-21;/h1-5,12,22H,6-11,13H2,(H,18,20);1H
InChIKeyKJXWSOVUEKJNMA-UHFFFAOYSA-N
XLogP1.80
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride?
The IUPAC name of [3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride (CID 45262789) is [3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride.
What is the SMILES notation for [3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride?
The canonical SMILES for [3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride is Cl.OCc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.
What is the InChIKey of [3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride?
The InChIKey is KJXWSOVUEKJNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c22-13-15-12-16(14-4-2-1-3-5-14)19-20-17(15)18-6-7-21-8-10-23-11-9-21;/h1-5,12,22H,6-11,13H2,(H,18,20);1H.
What are the key properties of [3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride?
[3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride is sourced from PubChem (CID 45262789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).