2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine

C10H14N6S — CID 6492087

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCn1nnnc1SCCNCc1ccccn1
InChIInChI=1S/C10H14N6S/c1-16-10(13-14-15-16)17-7-6-11-8-9-4-2-3-5-12-9/h2-5,11H,6-8H2,1H3
InChIKeyXUARZXFHJHNDMP-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.49
Rot. Bonds6

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine

2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 6492087) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID6492087
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCn1nnnc1SCCNCc1ccccn1
InChIInChI=1S/C10H14N6S/c1-16-10(13-14-15-16)17-7-6-11-8-9-4-2-3-5-12-9/h2-5,11H,6-8H2,1H3
InChIKeyXUARZXFHJHNDMP-UHFFFAOYSA-N
XLogP0.49
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine (CID 6492087) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine is Cn1nnnc1SCCNCc1ccccn1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is XUARZXFHJHNDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-16-10(13-14-15-16)17-7-6-11-8-9-4-2-3-5-12-9/h2-5,11H,6-8H2,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 250.33 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 6492087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).