4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol

C14H13N5OS — CID 26583607

IUPAC4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCCc2ccccn2)cc1
InChIInChI=1S/C14H13N5OS/c20-13-6-4-12(5-7-13)19-14(16-17-18-19)21-10-8-11-3-1-2-9-15-11/h1-7,9,20H,8,10H2
InChIKeyRAMSQSYSQKCVRS-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.10
Rot. Bonds5

About 4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol

4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol (PubChem CID 26583607) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol
PubChem CID26583607
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCCc2ccccn2)cc1
InChIInChI=1S/C14H13N5OS/c20-13-6-4-12(5-7-13)19-14(16-17-18-19)21-10-8-11-3-1-2-9-15-11/h1-7,9,20H,8,10H2
InChIKeyRAMSQSYSQKCVRS-UHFFFAOYSA-N
XLogP2.10
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol (CID 26583607) is 4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2SCCc2ccccn2)cc1.
What is the InChIKey of 4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol?
The InChIKey is RAMSQSYSQKCVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c20-13-6-4-12(5-7-13)19-14(16-17-18-19)21-10-8-11-3-1-2-9-15-11/h1-7,9,20H,8,10H2.
What are the key properties of 4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol?
4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol has a molecular weight of 299.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-pyridin-2-ylethylsulfanyl)tetrazol-1-yl]phenol is sourced from PubChem (CID 26583607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).