4-piperazin-1-yl-1H-indazole;hydrochloride

C11H15ClN4 — CID 131699602

IUPAC4-piperazin-1-yl-1H-indazole;hydrochloride
SMILESCl.c1cc(N2CCNCC2)c2cn[nH]c2c1
InChIInChI=1S/C11H14N4.ClH/c1-2-10-9(8-13-14-10)11(3-1)15-6-4-12-5-7-15;/h1-3,8,12H,4-7H2,(H,13,14);1H
InChIKeyXJLWMLIJTOSPHZ-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.39
Rot. Bonds1

About 4-piperazin-1-yl-1H-indazole;hydrochloride

4-piperazin-1-yl-1H-indazole;hydrochloride (PubChem CID 131699602) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-piperazin-1-yl-1H-indazole;hydrochloride.

Molecular Properties

Compound Name4-piperazin-1-yl-1H-indazole;hydrochloride
PubChem CID131699602
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name4-piperazin-1-yl-1H-indazole;hydrochloride
SMILESCl.c1cc(N2CCNCC2)c2cn[nH]c2c1
InChIInChI=1S/C11H14N4.ClH/c1-2-10-9(8-13-14-10)11(3-1)15-6-4-12-5-7-15;/h1-3,8,12H,4-7H2,(H,13,14);1H
InChIKeyXJLWMLIJTOSPHZ-UHFFFAOYSA-N
XLogP1.39
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
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1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
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2-methyl-5-piperazin-1-ylquinazoline
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5-piperazin-1-ylquinoline
CID 10656226
3-fluoro-5-piperazin-1-ylquinoline
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3-piperazin-1-yl-1H-indole;dihydrochloride
CID 172915789

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-1H-indazole;hydrochloride?
The IUPAC name of 4-piperazin-1-yl-1H-indazole;hydrochloride (CID 131699602) is 4-piperazin-1-yl-1H-indazole;hydrochloride.
What is the SMILES notation for 4-piperazin-1-yl-1H-indazole;hydrochloride?
The canonical SMILES for 4-piperazin-1-yl-1H-indazole;hydrochloride is Cl.c1cc(N2CCNCC2)c2cn[nH]c2c1.
What is the InChIKey of 4-piperazin-1-yl-1H-indazole;hydrochloride?
The InChIKey is XJLWMLIJTOSPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.ClH/c1-2-10-9(8-13-14-10)11(3-1)15-6-4-12-5-7-15;/h1-3,8,12H,4-7H2,(H,13,14);1H.
What are the key properties of 4-piperazin-1-yl-1H-indazole;hydrochloride?
4-piperazin-1-yl-1H-indazole;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-1H-indazole;hydrochloride is sourced from PubChem (CID 131699602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).