[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine

C11H14N4S — CID 115447070

IUPAC[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2nc(-c3cccs3)n[nH]2)CCC1
InChIInChI=1S/C11H14N4S/c12-7-11(4-2-5-11)10-13-9(14-15-10)8-3-1-6-16-8/h1,3,6H,2,4-5,7,12H2,(H,13,14,15)
InChIKeyBRMRZHRZDCUUDR-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.91
Rot. Bonds3

About [1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine

[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine (PubChem CID 115447070) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is [1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine
PubChem CID115447070
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2nc(-c3cccs3)n[nH]2)CCC1
InChIInChI=1S/C11H14N4S/c12-7-11(4-2-5-11)10-13-9(14-15-10)8-3-1-6-16-8/h1,3,6H,2,4-5,7,12H2,(H,13,14,15)
InChIKeyBRMRZHRZDCUUDR-UHFFFAOYSA-N
XLogP1.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine (CID 115447070) is [1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine is NCC1(c2nc(-c3cccs3)n[nH]2)CCC1.
What is the InChIKey of [1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine?
The InChIKey is BRMRZHRZDCUUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c12-7-11(4-2-5-11)10-13-9(14-15-10)8-3-1-6-16-8/h1,3,6H,2,4-5,7,12H2,(H,13,14,15).
What are the key properties of [1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine?
[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine has a molecular weight of 234.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclobutyl]methanamine is sourced from PubChem (CID 115447070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).