5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine

C11H12N6O3S — CID 16605629

IUPAC5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine
SMILESO=[N+]([O-])c1ccc(Sc2nnnn2CC2CCCO2)nc1
InChIInChI=1S/C11H12N6O3S/c18-17(19)8-3-4-10(12-6-8)21-11-13-14-15-16(11)7-9-2-1-5-20-9/h3-4,6,9H,1-2,5,7H2
InChIKeyCXKSWDGTKKFPGW-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.31
Rot. Bonds5

About 5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine

5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine (PubChem CID 16605629) has the molecular formula C11H12N6O3S and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine.

Molecular Properties

Compound Name5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine
PubChem CID16605629
Molecular FormulaC11H12N6O3S
Molecular Weight308.32 g/mol
Exact Mass308.07
IUPAC Name5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine
SMILESO=[N+]([O-])c1ccc(Sc2nnnn2CC2CCCO2)nc1
InChIInChI=1S/C11H12N6O3S/c18-17(19)8-3-4-10(12-6-8)21-11-13-14-15-16(11)7-9-2-1-5-20-9/h3-4,6,9H,1-2,5,7H2
InChIKeyCXKSWDGTKKFPGW-UHFFFAOYSA-N
XLogP1.31
TPSA108.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-(oxolan-2-ylmethyl)tetrazole
CID 24508487
5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole
CID 51083221
[3-nitro-4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylphenyl]-phenylmethanone
CID 24508498
5-(3-chloroprop-2-enylsulfanyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 72691656
5-chloro-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 75498623
2-fluoro-6-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbenzonitrile
CID 51322515
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
4-methyl-1-[3-nitro-4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylphenyl]sulfonylpiperidine
CID 24508502
4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine
CID 75866971
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine
CID 166251968
N-[1-(4-fluorophenyl)ethyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259203
1-(azepan-1-yl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 127667265

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine?
The IUPAC name of 5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine (CID 16605629) is 5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine.
What is the SMILES notation for 5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine?
The canonical SMILES for 5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine is O=[N+]([O-])c1ccc(Sc2nnnn2CC2CCCO2)nc1.
What is the InChIKey of 5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine?
The InChIKey is CXKSWDGTKKFPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3S/c18-17(19)8-3-4-10(12-6-8)21-11-13-14-15-16(11)7-9-2-1-5-20-9/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine?
5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine has a molecular weight of 308.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine is sourced from PubChem (CID 16605629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).