N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine

C10H13N5S — CID 62579417

IUPACN-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
SMILESc1ccc(CNCCSc2ncn[nH]2)nc1
InChIInChI=1S/C10H13N5S/c1-2-4-12-9(3-1)7-11-5-6-16-10-13-8-14-15-10/h1-4,8,11H,5-7H2,(H,13,14,15)
InChIKeyIIICVJUBGJUUIZ-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.08
Rot. Bonds6

About N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine

N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine (PubChem CID 62579417) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
PubChem CID62579417
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
SMILESc1ccc(CNCCSc2ncn[nH]2)nc1
InChIInChI=1S/C10H13N5S/c1-2-4-12-9(3-1)7-11-5-6-16-10-13-8-14-15-10/h1-4,8,11H,5-7H2,(H,13,14,15)
InChIKeyIIICVJUBGJUUIZ-UHFFFAOYSA-N
XLogP1.08
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridin-2-ylmethyl)-2-pyridin-4-ylsulfanylethanamine
CID 54215186
2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 100924247
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
3,3-dimethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]butan-1-amine
CID 62579196
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 62576622
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine (CID 62579417) is N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine is c1ccc(CNCCSc2ncn[nH]2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine?
The InChIKey is IIICVJUBGJUUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-2-4-12-9(3-1)7-11-5-6-16-10-13-8-14-15-10/h1-4,8,11H,5-7H2,(H,13,14,15).
What are the key properties of N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine?
N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine has a molecular weight of 235.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine is sourced from PubChem (CID 62579417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).