6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride

C17H19ClN6O2 — CID 120958039

IUPAC6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride
SMILESCN1CCNCC1c1noc(-c2ccc(=O)n(-c3ccccc3)n2)n1.Cl
InChIInChI=1S/C17H18N6O2.ClH/c1-22-10-9-18-11-14(22)16-19-17(25-21-16)13-7-8-15(24)23(20-13)12-5-3-2-4-6-12;/h2-8,14,18H,9-11H2,1H3;1H
InChIKeyBNPNCHDXFFPOQN-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.28
Rot. Bonds3

About 6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride

6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride (PubChem CID 120958039) has the molecular formula C17H19ClN6O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride
PubChem CID120958039
Molecular FormulaC17H19ClN6O2
Molecular Weight374.83 g/mol
Exact Mass374.13
IUPAC Name6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride
SMILESCN1CCNCC1c1noc(-c2ccc(=O)n(-c3ccccc3)n2)n1.Cl
InChIInChI=1S/C17H18N6O2.ClH/c1-22-10-9-18-11-14(22)16-19-17(25-21-16)13-7-8-15(24)23(20-13)12-5-3-2-4-6-12;/h2-8,14,18H,9-11H2,1H3;1H
InChIKeyBNPNCHDXFFPOQN-UHFFFAOYSA-N
XLogP1.28
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride with MolForge

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Related Compounds

2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
CID 120957494
3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide
CID 120957058
3-(1-methylpiperazin-2-yl)-5-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960090
5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958592
3-(1-methylpiperazin-2-yl)-5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 120960263
3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole
CID 120956822
5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960912
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120957367
5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958674
5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956487
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride?
The IUPAC name of 6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride (CID 120958039) is 6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride.
What is the SMILES notation for 6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride?
The canonical SMILES for 6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride is CN1CCNCC1c1noc(-c2ccc(=O)n(-c3ccccc3)n2)n1.Cl.
What is the InChIKey of 6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride?
The InChIKey is BNPNCHDXFFPOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2.ClH/c1-22-10-9-18-11-14(22)16-19-17(25-21-16)13-7-8-15(24)23(20-13)12-5-3-2-4-6-12;/h2-8,14,18H,9-11H2,1H3;1H.
What are the key properties of 6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride?
6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride has a molecular weight of 374.83 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride is sourced from PubChem (CID 120958039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).