4-(1-phenyltetrazol-5-yl)sulfanylpyridine

C12H9N5S — CID 777479

IUPAC4-(1-phenyltetrazol-5-yl)sulfanylpyridine
SMILESc1ccc(-n2nnnc2Sc2ccncc2)cc1
InChIInChI=1S/C12H9N5S/c1-2-4-10(5-3-1)17-12(14-15-16-17)18-11-6-8-13-9-7-11/h1-9H
InChIKeyPUQYSSJKEDYPAB-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.21
Rot. Bonds3

About 4-(1-phenyltetrazol-5-yl)sulfanylpyridine

4-(1-phenyltetrazol-5-yl)sulfanylpyridine (PubChem CID 777479) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-(1-phenyltetrazol-5-yl)sulfanylpyridine.

Molecular Properties

Compound Name4-(1-phenyltetrazol-5-yl)sulfanylpyridine
PubChem CID777479
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC Name4-(1-phenyltetrazol-5-yl)sulfanylpyridine
SMILESc1ccc(-n2nnnc2Sc2ccncc2)cc1
InChIInChI=1S/C12H9N5S/c1-2-4-10(5-3-1)17-12(14-15-16-17)18-11-6-8-13-9-7-11/h1-9H
InChIKeyPUQYSSJKEDYPAB-UHFFFAOYSA-N
XLogP2.21
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyltetrazol-5-yl)sulfanylpyridine?
The IUPAC name of 4-(1-phenyltetrazol-5-yl)sulfanylpyridine (CID 777479) is 4-(1-phenyltetrazol-5-yl)sulfanylpyridine.
What is the SMILES notation for 4-(1-phenyltetrazol-5-yl)sulfanylpyridine?
The canonical SMILES for 4-(1-phenyltetrazol-5-yl)sulfanylpyridine is c1ccc(-n2nnnc2Sc2ccncc2)cc1.
What is the InChIKey of 4-(1-phenyltetrazol-5-yl)sulfanylpyridine?
The InChIKey is PUQYSSJKEDYPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S/c1-2-4-10(5-3-1)17-12(14-15-16-17)18-11-6-8-13-9-7-11/h1-9H.
What are the key properties of 4-(1-phenyltetrazol-5-yl)sulfanylpyridine?
4-(1-phenyltetrazol-5-yl)sulfanylpyridine has a molecular weight of 255.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenyltetrazol-5-yl)sulfanylpyridine is sourced from PubChem (CID 777479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).