4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one

C8H9N5OS — CID 157180998

IUPAC4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one
SMILESCc1cc(SCc2nn[nH]n2)[nH]c(=O)c1
InChIInChI=1S/C8H9N5OS/c1-5-2-7(14)9-8(3-5)15-4-6-10-12-13-11-6/h2-3H,4H2,1H3,(H,9,14)(H,10,11,12,13)
InChIKeyUVZZIFLJFYVLOY-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.49
Rot. Bonds3

About 4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one

4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one (PubChem CID 157180998) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one
PubChem CID157180998
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one
SMILESCc1cc(SCc2nn[nH]n2)[nH]c(=O)c1
InChIInChI=1S/C8H9N5OS/c1-5-2-7(14)9-8(3-5)15-4-6-10-12-13-11-6/h2-3H,4H2,1H3,(H,9,14)(H,10,11,12,13)
InChIKeyUVZZIFLJFYVLOY-UHFFFAOYSA-N
XLogP0.49
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one (CID 157180998) is 4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one is Cc1cc(SCc2nn[nH]n2)[nH]c(=O)c1.
What is the InChIKey of 4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one?
The InChIKey is UVZZIFLJFYVLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-5-2-7(14)9-8(3-5)15-4-6-10-12-13-11-6/h2-3H,4H2,1H3,(H,9,14)(H,10,11,12,13).
What are the key properties of 4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one?
4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one has a molecular weight of 223.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one is sourced from PubChem (CID 157180998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).