6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile

C13H13N7O2S — CID 122248620

IUPAC6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCn1nnnc1SCC(=O)N1CC(Oc2ccc(C#N)cn2)C1
InChIInChI=1S/C13H13N7O2S/c1-19-13(16-17-18-19)23-8-12(21)20-6-10(7-20)22-11-3-2-9(4-14)5-15-11/h2-3,5,10H,6-8H2,1H3
InChIKeyXRFFVBWUOUONEO-UHFFFAOYSA-N
MW331.36 g/mol
LogP-0.14
Rot. Bonds5

About 6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile

6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248620) has the molecular formula C13H13N7O2S and a molecular weight of 331.36 g/mol. Its IUPAC name is 6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248620
Molecular FormulaC13H13N7O2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC Name6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCn1nnnc1SCC(=O)N1CC(Oc2ccc(C#N)cn2)C1
InChIInChI=1S/C13H13N7O2S/c1-19-13(16-17-18-19)23-8-12(21)20-6-10(7-20)22-11-3-2-9(4-14)5-15-11/h2-3,5,10H,6-8H2,1H3
InChIKeyXRFFVBWUOUONEO-UHFFFAOYSA-N
XLogP-0.14
TPSA109.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248602
6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248677
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 90639013
6-[1-(2-benzylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248760
2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161043
6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248669
ethyl 2-[3-[(5-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122248678
3-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636457
6-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248816
6-[1-(cyclopentanecarbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248667
3-[(5-cyano-2-pyridinyl)oxy]-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 122248888
3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide
CID 122248876

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248620) is 6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile is Cn1nnnc1SCC(=O)N1CC(Oc2ccc(C#N)cn2)C1.
What is the InChIKey of 6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is XRFFVBWUOUONEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2S/c1-19-13(16-17-18-19)23-8-12(21)20-6-10(7-20)22-11-3-2-9(4-14)5-15-11/h2-3,5,10H,6-8H2,1H3.
What are the key properties of 6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 331.36 g/mol, XLogP of -0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).