N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine

C13H20N6OS — CID 102879327

IUPACN-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
SMILESCOCCNCCn1nnnc1SCc1cncc(C)c1
InChIInChI=1S/C13H20N6OS/c1-11-7-12(9-15-8-11)10-21-13-16-17-18-19(13)5-3-14-4-6-20-2/h7-9,14H,3-6,10H2,1-2H3
InChIKeyWQTXOWQZPBOXIG-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.90
Rot. Bonds9

About N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine

N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine (PubChem CID 102879327) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
PubChem CID102879327
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC NameN-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
SMILESCOCCNCCn1nnnc1SCc1cncc(C)c1
InChIInChI=1S/C13H20N6OS/c1-11-7-12(9-15-8-11)10-21-13-16-17-18-19(13)5-3-14-4-6-20-2/h7-9,14H,3-6,10H2,1-2H3
InChIKeyWQTXOWQZPBOXIG-UHFFFAOYSA-N
XLogP0.90
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine
CID 113382999
methyl 2-[5-[(5-bromo-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]acetate
CID 104796026
1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol
CID 106993060
2-methoxy-N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 102878015
2-[5-[(5-fluoro-2-methylphenyl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine
CID 105375397
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62565066
2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880746
N-ethyl-2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 104795003
N-(2-methoxyethyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 62578744
N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103184266
N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 112644510
N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106458184

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine (CID 102879327) is N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine is COCCNCCn1nnnc1SCc1cncc(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine?
The InChIKey is WQTXOWQZPBOXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-11-7-12(9-15-8-11)10-21-13-16-17-18-19(13)5-3-14-4-6-20-2/h7-9,14H,3-6,10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine?
N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine has a molecular weight of 308.41 g/mol, XLogP of 0.90, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine is sourced from PubChem (CID 102879327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).