2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium

C10H15N6S+ — CID 7005222

IUPAC2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium
SMILESCn1nnnc1SCC[NH2+]Cc1ccncc1
InChIInChI=1S/C10H14N6S/c1-16-10(13-14-15-16)17-7-6-12-8-9-2-4-11-5-3-9/h2-5,12H,6-8H2,1H3/p+1
InChIKeyHRUOSIRSXXCCBE-UHFFFAOYSA-O
MW251.34 g/mol
LogP-0.54
Rot. Bonds6

About 2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium

2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium (PubChem CID 7005222) has the molecular formula C10H15N6S+ and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium
PubChem CID7005222
Molecular FormulaC10H15N6S+
Molecular Weight251.34 g/mol
Exact Mass251.11
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium
SMILESCn1nnnc1SCC[NH2+]Cc1ccncc1
InChIInChI=1S/C10H14N6S/c1-16-10(13-14-15-16)17-7-6-12-8-9-2-4-11-5-3-9/h2-5,12H,6-8H2,1H3/p+1
InChIKeyHRUOSIRSXXCCBE-UHFFFAOYSA-O
XLogP-0.54
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-ethoxyphenyl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7449437
2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7450464
(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248407
4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine
CID 3061975
(5-bromo-2-methoxyphenyl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium chloride
CID 44664242
(3,4-diethoxyphenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639828
(2,6-dichlorophenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639757
[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248404
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 8622356
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
(3-bromo-5-ethoxy-4-methoxyphenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 7447666
(5-bromo-2-ethoxyphenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 7447659

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium (CID 7005222) is 2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium is Cn1nnnc1SCC[NH2+]Cc1ccncc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium?
The InChIKey is HRUOSIRSXXCCBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N6S/c1-16-10(13-14-15-16)17-7-6-12-8-9-2-4-11-5-3-9/h2-5,12H,6-8H2,1H3/p+1.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium?
2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium has a molecular weight of 251.34 g/mol, XLogP of -0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium is sourced from PubChem (CID 7005222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).