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

C7H8N4S — CID 83636170

IUPAC(3-thiophen-2-yltriazol-4-yl)methanamine
SMILESNCc1cnnn1-c1cccs1
InChIInChI=1S/C7H8N4S/c8-4-6-5-9-10-11(6)7-2-1-3-12-7/h1-3,5H,4,8H2
InChIKeyPDGASKJCKPMQLW-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.79
Rot. Bonds2

About (3-thiophen-2-yltriazol-4-yl)methanamine

(3-thiophen-2-yltriazol-4-yl)methanamine (PubChem CID 83636170) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is (3-thiophen-2-yltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-thiophen-2-yltriazol-4-yl)methanamine
PubChem CID83636170
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name(3-thiophen-2-yltriazol-4-yl)methanamine
SMILESNCc1cnnn1-c1cccs1
InChIInChI=1S/C7H8N4S/c8-4-6-5-9-10-11(6)7-2-1-3-12-7/h1-3,5H,4,8H2
InChIKeyPDGASKJCKPMQLW-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

1-Thiophen-2-yltriazole
CID 12454080
(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-[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-[1-(Thiophen-3-ylmethyl)triazol-4-yl]propan-2-amine
CID 63998729
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

Frequently Asked Questions

What is the IUPAC name of (3-thiophen-2-yltriazol-4-yl)methanamine?
The IUPAC name of (3-thiophen-2-yltriazol-4-yl)methanamine (CID 83636170) is (3-thiophen-2-yltriazol-4-yl)methanamine.
What is the SMILES notation for (3-thiophen-2-yltriazol-4-yl)methanamine?
The canonical SMILES for (3-thiophen-2-yltriazol-4-yl)methanamine is NCc1cnnn1-c1cccs1.
What is the InChIKey of (3-thiophen-2-yltriazol-4-yl)methanamine?
The InChIKey is PDGASKJCKPMQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-4-6-5-9-10-11(6)7-2-1-3-12-7/h1-3,5H,4,8H2.
What are the key properties of (3-thiophen-2-yltriazol-4-yl)methanamine?
(3-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 (3-thiophen-2-yltriazol-4-yl)methanamine is sourced from PubChem (CID 83636170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).