7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline

C16H12N4S — CID 18999803

IUPAC7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline
SMILESc1ccc(SCc2cnc3cc4cn[nH]c4cc3n2)cc1
InChIInChI=1S/C16H12N4S/c1-2-4-13(5-3-1)21-10-12-9-17-15-6-11-8-18-20-14(11)7-16(15)19-12/h1-9H,10H2,(H,18,20)
InChIKeyRIKZFEGZUBKVPY-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.80
Rot. Bonds3

About 7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline

7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline (PubChem CID 18999803) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline
PubChem CID18999803
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline
SMILESc1ccc(SCc2cnc3cc4cn[nH]c4cc3n2)cc1
InChIInChI=1S/C16H12N4S/c1-2-4-13(5-3-1)21-10-12-9-17-15-6-11-8-18-20-14(11)7-16(15)19-12/h1-9H,10H2,(H,18,20)
InChIKeyRIKZFEGZUBKVPY-UHFFFAOYSA-N
XLogP3.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline?
The IUPAC name of 7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline (CID 18999803) is 7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline.
What is the SMILES notation for 7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline?
The canonical SMILES for 7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline is c1ccc(SCc2cnc3cc4cn[nH]c4cc3n2)cc1.
What is the InChIKey of 7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline?
The InChIKey is RIKZFEGZUBKVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-2-4-13(5-3-1)21-10-12-9-17-15-6-11-8-18-20-14(11)7-16(15)19-12/h1-9H,10H2,(H,18,20).
What are the key properties of 7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline?
7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline has a molecular weight of 292.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 18999803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).