2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine

C10H14N4S — CID 103991484

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCc1nc(CCNCc2ccsc2)n[nH]1
InChIInChI=1S/C10H14N4S/c1-8-12-10(14-13-8)2-4-11-6-9-3-5-15-7-9/h3,5,7,11H,2,4,6H2,1H3,(H,12,13,14)
InChIKeyOFRQXJWDEQONDN-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.51
Rot. Bonds5

About 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine

2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 103991484) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID103991484
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCc1nc(CCNCc2ccsc2)n[nH]1
InChIInChI=1S/C10H14N4S/c1-8-12-10(14-13-8)2-4-11-6-9-3-5-15-7-9/h3,5,7,11H,2,4,6H2,1H3,(H,12,13,14)
InChIKeyOFRQXJWDEQONDN-UHFFFAOYSA-N
XLogP1.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 103991490
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
CID 115615759
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
N-[(5-bromo-1-benzothiophen-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 166364342
2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 64988759
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984277
2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 112727575
4,4-dimethyl-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 115642825
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide
CID 56825547
1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115672794

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine (CID 103991484) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine is Cc1nc(CCNCc2ccsc2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is OFRQXJWDEQONDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-8-12-10(14-13-8)2-4-11-6-9-3-5-15-7-9/h3,5,7,11H,2,4,6H2,1H3,(H,12,13,14).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 222.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 103991484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).