(1-thiophen-2-yltriazol-4-yl)methanamine

C7H8N4S — CID 83636169

IUPAC(1-thiophen-2-yltriazol-4-yl)methanamine
SMILESNCc1cn(-c2cccs2)nn1
InChIInChI=1S/C7H8N4S/c8-4-6-5-11(10-9-6)7-2-1-3-12-7/h1-3,5H,4,8H2
InChIKeyBVGFTSPGQYBLNC-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.79
Rot. Bonds2

About (1-thiophen-2-yltriazol-4-yl)methanamine

(1-thiophen-2-yltriazol-4-yl)methanamine (PubChem CID 83636169) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is (1-thiophen-2-yltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-thiophen-2-yltriazol-4-yl)methanamine
PubChem CID83636169
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name(1-thiophen-2-yltriazol-4-yl)methanamine
SMILESNCc1cn(-c2cccs2)nn1
InChIInChI=1S/C7H8N4S/c8-4-6-5-11(10-9-6)7-2-1-3-12-7/h1-3,5H,4,8H2
InChIKeyBVGFTSPGQYBLNC-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

Trimethyl-(1-thiophen-2-yltriazol-4-yl)silane
CID 10082338
1-Thiophen-2-yltriazole
CID 12454080
1-(4-Methylthiophen-2-yl)triazole
CID 20373982
2-(1H-pyrazol-1-yl)thiophen-3-amine
CID 68781723
(1-Thiophen-3-yltriazol-4-yl)methanamine
CID 119106442
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 55072751
{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-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 62421399
N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62421400
2-methyl-N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62421401
N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421565

Frequently Asked Questions

What is the IUPAC name of (1-thiophen-2-yltriazol-4-yl)methanamine?
The IUPAC name of (1-thiophen-2-yltriazol-4-yl)methanamine (CID 83636169) is (1-thiophen-2-yltriazol-4-yl)methanamine.
What is the SMILES notation for (1-thiophen-2-yltriazol-4-yl)methanamine?
The canonical SMILES for (1-thiophen-2-yltriazol-4-yl)methanamine is NCc1cn(-c2cccs2)nn1.
What is the InChIKey of (1-thiophen-2-yltriazol-4-yl)methanamine?
The InChIKey is BVGFTSPGQYBLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-4-6-5-11(10-9-6)7-2-1-3-12-7/h1-3,5H,4,8H2.
What are the key properties of (1-thiophen-2-yltriazol-4-yl)methanamine?
(1-thiophen-2-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-2-yltriazol-4-yl)methanamine is sourced from PubChem (CID 83636169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).