2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine

C11H15N5S — CID 75446599

IUPAC2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine
SMILESCCCn1nnnc1CSCc1ccccn1
InChIInChI=1S/C11H15N5S/c1-2-7-16-11(13-14-15-16)9-17-8-10-5-3-4-6-12-10/h3-6H,2,7-9H2,1H3
InChIKeyKTPCGUMHSJINHY-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.91
Rot. Bonds6

About 2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine

2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine (PubChem CID 75446599) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine
PubChem CID75446599
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine
SMILESCCCn1nnnc1CSCc1ccccn1
InChIInChI=1S/C11H15N5S/c1-2-7-16-11(13-14-15-16)9-17-8-10-5-3-4-6-12-10/h3-6H,2,7-9H2,1H3
InChIKeyKTPCGUMHSJINHY-UHFFFAOYSA-N
XLogP1.91
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine
CID 61372954
2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine
CID 13061964
2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine
CID 71346411
(1-propyltetrazol-5-yl)methanamine
CID 62736890
4-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
CID 43299209
4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol
CID 60864055
2-(2-methylsulfanylethylsulfanylmethyl)pyridine
CID 175223046
2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine
CID 47143055
4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid
CID 113269967
2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43417030
(2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 107774522

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine?
The IUPAC name of 2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine (CID 75446599) is 2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine.
What is the SMILES notation for 2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine?
The canonical SMILES for 2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine is CCCn1nnnc1CSCc1ccccn1.
What is the InChIKey of 2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine?
The InChIKey is KTPCGUMHSJINHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-2-7-16-11(13-14-15-16)9-17-8-10-5-3-4-6-12-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine?
2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine has a molecular weight of 249.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine is sourced from PubChem (CID 75446599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).