2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine

C19H21N5S — CID 121447298

IUPAC2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine
SMILESc1cnc(SC2CCC2)c(-c2ccc(CCCc3nn[nH]n3)cc2)c1
InChIInChI=1S/C19H21N5S/c1(8-18-21-23-24-22-18)4-14-9-11-15(12-10-14)17-7-3-13-20-19(17)25-16-5-2-6-16/h3,7,9-13,16H,1-2,4-6,8H2,(H,21,22,23,24)
InChIKeyBDXFAUWTSMPNGJ-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.08
Rot. Bonds7

About 2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine

2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine (PubChem CID 121447298) has the molecular formula C19H21N5S and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine.

Molecular Properties

Compound Name2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine
PubChem CID121447298
Molecular FormulaC19H21N5S
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC Name2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine
SMILESc1cnc(SC2CCC2)c(-c2ccc(CCCc3nn[nH]n3)cc2)c1
InChIInChI=1S/C19H21N5S/c1(8-18-21-23-24-22-18)4-14-9-11-15(12-10-14)17-7-3-13-20-19(17)25-16-5-2-6-16/h3,7,9-13,16H,1-2,4-6,8H2,(H,21,22,23,24)
InChIKeyBDXFAUWTSMPNGJ-UHFFFAOYSA-N
XLogP4.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine?
The IUPAC name of 2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine (CID 121447298) is 2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine.
What is the SMILES notation for 2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine?
The canonical SMILES for 2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine is c1cnc(SC2CCC2)c(-c2ccc(CCCc3nn[nH]n3)cc2)c1.
What is the InChIKey of 2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine?
The InChIKey is BDXFAUWTSMPNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S/c1(8-18-21-23-24-22-18)4-14-9-11-15(12-10-14)17-7-3-13-20-19(17)25-16-5-2-6-16/h3,7,9-13,16H,1-2,4-6,8H2,(H,21,22,23,24).
What are the key properties of 2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine?
2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine has a molecular weight of 351.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine is sourced from PubChem (CID 121447298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).