5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole

C11H13ClN4S — CID 155735081

IUPAC5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole
SMILESSN1CCN(c2cc3[nH]ncc3cc2Cl)CC1
InChIInChI=1S/C11H13ClN4S/c12-9-5-8-7-13-14-10(8)6-11(9)15-1-3-16(17)4-2-15/h5-7,17H,1-4H2,(H,13,14)
InChIKeyLXTJOLMAFLVKKF-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.18
Rot. Bonds1

About 5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole

5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole (PubChem CID 155735081) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole.

Molecular Properties

Compound Name5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole
PubChem CID155735081
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole
SMILESSN1CCN(c2cc3[nH]ncc3cc2Cl)CC1
InChIInChI=1S/C11H13ClN4S/c12-9-5-8-7-13-14-10(8)6-11(9)15-1-3-16(17)4-2-15/h5-7,17H,1-4H2,(H,13,14)
InChIKeyLXTJOLMAFLVKKF-UHFFFAOYSA-N
XLogP2.18
TPSA35.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-1H-indazol-6-yl)-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
CID 155381294
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine
CID 107490120
6-chloro-5-(fluoromethyl)-1H-indazole
CID 177150099
(6-chloro-1H-indazol-5-yl)methanamine
CID 117109495
6-chloro-1H-indazole-5-carboxylic acid
CID 117110166
5-chloro-6-(3,3-dimethylbut-1-ynyl)-1H-indazole
CID 146522143
6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine
CID 107490375
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1H-indazol-5-amine
CID 107490647
5-chloro-6-(difluoromethoxy)-1H-indazole
CID 171662371
6-chloro-4-pyrrolidin-1-yl-1H-indazole
CID 138559858
2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol
CID 107490774
3-(6-chloro-1H-indazol-5-yl)propan-1-ol
CID 177150216

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole?
The IUPAC name of 5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole (CID 155735081) is 5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole.
What is the SMILES notation for 5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole?
The canonical SMILES for 5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole is SN1CCN(c2cc3[nH]ncc3cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole?
The InChIKey is LXTJOLMAFLVKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c12-9-5-8-7-13-14-10(8)6-11(9)15-1-3-16(17)4-2-15/h5-7,17H,1-4H2,(H,13,14).
What are the key properties of 5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole?
5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole has a molecular weight of 268.77 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-sulfanylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 155735081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).