2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine

C11H15N5S — CID 62576622

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCn1cnnc1SCCNCc1ccccn1
InChIInChI=1S/C11H15N5S/c1-16-9-14-15-11(16)17-7-6-12-8-10-4-2-3-5-13-10/h2-5,9,12H,6-8H2,1H3
InChIKeyUZIQOROSPIZKOL-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.09
Rot. Bonds6

About 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 62576622) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID62576622
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCn1cnnc1SCCNCc1ccccn1
InChIInChI=1S/C11H15N5S/c1-16-9-14-15-11(16)17-7-6-12-8-10-4-2-3-5-13-10/h2-5,9,12H,6-8H2,1H3
InChIKeyUZIQOROSPIZKOL-UHFFFAOYSA-N
XLogP1.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.09
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

N-(pyridin-2-ylmethyl)-2-pyridin-4-ylsulfanylethanamine
CID 54215186
2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 100924247
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 62583366
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 62579417
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 42290992
4-bromo-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]aniline
CID 62577652
2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62567738
3-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115572659
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylbutan-1-amine
CID 62578296
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
2-(3,5-ditert-butylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 102218014

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine (CID 62576622) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine is Cn1cnnc1SCCNCc1ccccn1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is UZIQOROSPIZKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-16-9-14-15-11(16)17-7-6-12-8-10-4-2-3-5-13-10/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 249.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62576622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).