2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine

C13H11N5S — CID 580000

IUPAC2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
SMILESc1ccc(-n2nnnc2SCc2ccccn2)cc1
InChIInChI=1S/C13H11N5S/c1-2-7-12(8-3-1)18-13(15-16-17-18)19-10-11-6-4-5-9-14-11/h1-9H,10H2
InChIKeyNTNMJNVYNLUJOB-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.35
Rot. Bonds4

About 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine

2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine (PubChem CID 580000) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
PubChem CID580000
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC Name2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
SMILESc1ccc(-n2nnnc2SCc2ccccn2)cc1
InChIInChI=1S/C13H11N5S/c1-2-7-12(8-3-1)18-13(15-16-17-18)19-10-11-6-4-5-9-14-11/h1-9H,10H2
InChIKeyNTNMJNVYNLUJOB-UHFFFAOYSA-N
XLogP2.35
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine?
The IUPAC name of 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine (CID 580000) is 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine is c1ccc(-n2nnnc2SCc2ccccn2)cc1.
What is the InChIKey of 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine?
The InChIKey is NTNMJNVYNLUJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-2-7-12(8-3-1)18-13(15-16-17-18)19-10-11-6-4-5-9-14-11/h1-9H,10H2.
What are the key properties of 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine?
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine has a molecular weight of 269.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 580000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).