2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine

C10H13N5O2S2 — CID 13061983

IUPAC2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine
SMILESCn1nnnc1S(=O)CCCS(=O)c1ccccn1
InChIInChI=1S/C10H13N5O2S2/c1-15-10(12-13-14-15)19(17)8-4-7-18(16)9-5-2-3-6-11-9/h2-3,5-6H,4,7-8H2,1H3
InChIKeyYBLGGGKVMVFASM-UHFFFAOYSA-N
MW299.38 g/mol
LogP-0.09
Rot. Bonds6

About 2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine

2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine (PubChem CID 13061983) has the molecular formula C10H13N5O2S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine.

Molecular Properties

Compound Name2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine
PubChem CID13061983
Molecular FormulaC10H13N5O2S2
Molecular Weight299.38 g/mol
Exact Mass299.05
IUPAC Name2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine
SMILESCn1nnnc1S(=O)CCCS(=O)c1ccccn1
InChIInChI=1S/C10H13N5O2S2/c1-15-10(12-13-14-15)19(17)8-4-7-18(16)9-5-2-3-6-11-9/h2-3,5-6H,4,7-8H2,1H3
InChIKeyYBLGGGKVMVFASM-UHFFFAOYSA-N
XLogP-0.09
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine?
The IUPAC name of 2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine (CID 13061983) is 2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine.
What is the SMILES notation for 2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine?
The canonical SMILES for 2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine is Cn1nnnc1S(=O)CCCS(=O)c1ccccn1.
What is the InChIKey of 2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine?
The InChIKey is YBLGGGKVMVFASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S2/c1-15-10(12-13-14-15)19(17)8-4-7-18(16)9-5-2-3-6-11-9/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine?
2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine has a molecular weight of 299.38 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine is sourced from PubChem (CID 13061983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).