N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

C14H14N4S — CID 63643321

IUPACN-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESc1ccc(-c2n[nH]nc2CNCc2ccsc2)cc1
InChIInChI=1S/C14H14N4S/c1-2-4-12(5-3-1)14-13(16-18-17-14)9-15-8-11-6-7-19-10-11/h1-7,10,15H,8-9H2,(H,16,17,18)
InChIKeyJPKNJLFHMQWVMZ-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.82
Rot. Bonds5

About N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 63643321) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID63643321
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESc1ccc(-c2n[nH]nc2CNCc2ccsc2)cc1
InChIInChI=1S/C14H14N4S/c1-2-4-12(5-3-1)14-13(16-18-17-14)9-15-8-11-6-7-19-10-11/h1-7,10,15H,8-9H2,(H,16,17,18)
InChIKeyJPKNJLFHMQWVMZ-UHFFFAOYSA-N
XLogP2.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (CID 63643321) is N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is c1ccc(-c2n[nH]nc2CNCc2ccsc2)cc1.
What is the InChIKey of N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is JPKNJLFHMQWVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-4-12(5-3-1)14-13(16-18-17-14)9-15-8-11-6-7-19-10-11/h1-7,10,15H,8-9H2,(H,16,17,18).
What are the key properties of N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 270.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 63643321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).