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

C15H15N5S — CID 123935280

IUPAC2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine
SMILESCC(CSc1nnnn1-c1ccccc1)c1ccccn1
InChIInChI=1S/C15H15N5S/c1-12(14-9-5-6-10-16-14)11-21-15-17-18-19-20(15)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyUKUUDRYSAAXMBT-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.95
Rot. Bonds5

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

2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine (PubChem CID 123935280) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine
PubChem CID123935280
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine
SMILESCC(CSc1nnnn1-c1ccccc1)c1ccccn1
InChIInChI=1S/C15H15N5S/c1-12(14-9-5-6-10-16-14)11-21-15-17-18-19-20(15)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyUKUUDRYSAAXMBT-UHFFFAOYSA-N
XLogP2.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
CID 15140296
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64648593
1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
CID 47095844
2-ethoxy-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 63071022
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 578136
1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
CID 64650163
1-[4-[(2R)-butan-2-yl]phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 7757146
5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole
CID 71733763
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1449901

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine?
The IUPAC name of 2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine (CID 123935280) is 2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine.
What is the SMILES notation for 2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine?
The canonical SMILES for 2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine is CC(CSc1nnnn1-c1ccccc1)c1ccccn1.
What is the InChIKey of 2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine?
The InChIKey is UKUUDRYSAAXMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-12(14-9-5-6-10-16-14)11-21-15-17-18-19-20(15)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3.
What are the key properties of 2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine?
2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine has a molecular weight of 297.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine is sourced from PubChem (CID 123935280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).