2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine

C14H13N5S — CID 712012

IUPAC2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine
SMILESCSc1ccc(-c2nnn(Cc3ccccn3)n2)cc1
InChIInChI=1S/C14H13N5S/c1-20-13-7-5-11(6-8-13)14-16-18-19(17-14)10-12-4-2-3-9-15-12/h2-9H,10H2,1H3
InChIKeyYVYFREYQUFJWAM-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.51
Rot. Bonds4

About 2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine

2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine (PubChem CID 712012) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine
PubChem CID712012
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine
SMILESCSc1ccc(-c2nnn(Cc3ccccn3)n2)cc1
InChIInChI=1S/C14H13N5S/c1-20-13-7-5-11(6-8-13)14-16-18-19(17-14)10-12-4-2-3-9-15-12/h2-9H,10H2,1H3
InChIKeyYVYFREYQUFJWAM-UHFFFAOYSA-N
XLogP2.51
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[(4-Methyl-5-phenyl-1,2,4-triazol-3-YL)sulfanyl]methyl}pyridine
CID 1435169
2-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine
CID 662448
3-(4-Methyl-benzylsulfanyl)-5-pyridin-2-yl-[1,2,4]triazol-4-ylamine
CID 934027
6-phenyl-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662267
3-[(3-Fluorophenyl)methylthio]-4-methyl-5-(2-pyridyl)-1,2,4-triazole
CID 662895
3-Benzylsulfanyl-5-pyridin-2-yl-[1,2,4]triazol-4-ylamine
CID 931738
2-[5-[(2-Fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 933879
2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine
CID 10553663
N-methyl-4-[2-(4-pyridylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499973
2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine
CID 1741741
3-((2-benzyl-2H-tetrazol-5-yl)methyl)pyridine
CID 44445278
3-((2-phenethyl-2H-tetrazol-5-yl)methyl)pyridine
CID 44445279

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine?
The IUPAC name of 2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine (CID 712012) is 2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine.
What is the SMILES notation for 2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine?
The canonical SMILES for 2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine is CSc1ccc(-c2nnn(Cc3ccccn3)n2)cc1.
What is the InChIKey of 2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine?
The InChIKey is YVYFREYQUFJWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-20-13-7-5-11(6-8-13)14-16-18-19(17-14)10-12-4-2-3-9-15-12/h2-9H,10H2,1H3.
What are the key properties of 2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine?
2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine has a molecular weight of 283.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methylsulfanylphenyl)tetrazol-2-yl]methyl]pyridine is sourced from PubChem (CID 712012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).