(1-thiophen-3-yltriazol-4-yl)methanamine

C7H8N4S — CID 119106442

IUPAC(1-thiophen-3-yltriazol-4-yl)methanamine
SMILESNCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C7H8N4S/c8-3-6-4-11(10-9-6)7-1-2-12-5-7/h1-2,4-5H,3,8H2
InChIKeyWMZVJJHNKBVCOI-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.79
Rot. Bonds2

About (1-thiophen-3-yltriazol-4-yl)methanamine

(1-thiophen-3-yltriazol-4-yl)methanamine (PubChem CID 119106442) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is (1-thiophen-3-yltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-thiophen-3-yltriazol-4-yl)methanamine
PubChem CID119106442
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name(1-thiophen-3-yltriazol-4-yl)methanamine
SMILESNCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C7H8N4S/c8-3-6-4-11(10-9-6)7-1-2-12-5-7/h1-2,4-5H,3,8H2
InChIKeyWMZVJJHNKBVCOI-UHFFFAOYSA-N
XLogP0.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-trifluoro-N-{[1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl]methyl}propane-1-sulfonamide
CID 122276098
Trimethyl-(1-thiophen-3-yltriazol-4-yl)silane
CID 10082339
4,5-Dimethyl-1-thiophen-3-yltriazole
CID 58328331
4-[(3Z)-2-methylidenehexa-3,5-dienyl]-1-thiophen-3-yltriazole
CID 89798116
1-Thiophen-3-yltriazole
CID 12454078
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CID 62053952
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine
CID 62421398
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 62421569
N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63247840
2-[4-[[Methyl(thiophen-3-ylmethyl)amino]methyl]triazol-1-yl]ethanamine
CID 65944955
2-[4-[(Thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanamine
CID 65946757
N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66192351

Frequently Asked Questions

What is the IUPAC name of (1-thiophen-3-yltriazol-4-yl)methanamine?
The IUPAC name of (1-thiophen-3-yltriazol-4-yl)methanamine (CID 119106442) is (1-thiophen-3-yltriazol-4-yl)methanamine.
What is the SMILES notation for (1-thiophen-3-yltriazol-4-yl)methanamine?
The canonical SMILES for (1-thiophen-3-yltriazol-4-yl)methanamine is NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of (1-thiophen-3-yltriazol-4-yl)methanamine?
The InChIKey is WMZVJJHNKBVCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-3-6-4-11(10-9-6)7-1-2-12-5-7/h1-2,4-5H,3,8H2.
What are the key properties of (1-thiophen-3-yltriazol-4-yl)methanamine?
(1-thiophen-3-yltriazol-4-yl)methanamine has a molecular weight of 180.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiophen-3-yltriazol-4-yl)methanamine is sourced from PubChem (CID 119106442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).