3-(1H-indazol-3-ylsulfanyl)-1H-indazole

C14H10N4S — CID 67022594

IUPAC3-(1H-indazol-3-ylsulfanyl)-1H-indazole
SMILESc1ccc2c(Sc3n[nH]c4ccccc34)n[nH]c2c1
InChIInChI=1S/C14H10N4S/c1-3-7-11-9(5-1)13(17-15-11)19-14-10-6-2-4-8-12(10)16-18-14/h1-8H,(H,15,17)(H,16,18)
InChIKeyCNXCKSVLKQPYJW-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.59
Rot. Bonds2

About 3-(1H-indazol-3-ylsulfanyl)-1H-indazole

3-(1H-indazol-3-ylsulfanyl)-1H-indazole (PubChem CID 67022594) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-(1H-indazol-3-ylsulfanyl)-1H-indazole.

Molecular Properties

Compound Name3-(1H-indazol-3-ylsulfanyl)-1H-indazole
PubChem CID67022594
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name3-(1H-indazol-3-ylsulfanyl)-1H-indazole
SMILESc1ccc2c(Sc3n[nH]c4ccccc34)n[nH]c2c1
InChIInChI=1S/C14H10N4S/c1-3-7-11-9(5-1)13(17-15-11)19-14-10-6-2-4-8-12(10)16-18-14/h1-8H,(H,15,17)(H,16,18)
InChIKeyCNXCKSVLKQPYJW-UHFFFAOYSA-N
XLogP3.59
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-3-ylsulfanyl)-1H-indazole?
The IUPAC name of 3-(1H-indazol-3-ylsulfanyl)-1H-indazole (CID 67022594) is 3-(1H-indazol-3-ylsulfanyl)-1H-indazole.
What is the SMILES notation for 3-(1H-indazol-3-ylsulfanyl)-1H-indazole?
The canonical SMILES for 3-(1H-indazol-3-ylsulfanyl)-1H-indazole is c1ccc2c(Sc3n[nH]c4ccccc34)n[nH]c2c1.
What is the InChIKey of 3-(1H-indazol-3-ylsulfanyl)-1H-indazole?
The InChIKey is CNXCKSVLKQPYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-3-7-11-9(5-1)13(17-15-11)19-14-10-6-2-4-8-12(10)16-18-14/h1-8H,(H,15,17)(H,16,18).
What are the key properties of 3-(1H-indazol-3-ylsulfanyl)-1H-indazole?
3-(1H-indazol-3-ylsulfanyl)-1H-indazole has a molecular weight of 266.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-3-ylsulfanyl)-1H-indazole is sourced from PubChem (CID 67022594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).