1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole

C13H11N7S — CID 72900289

IUPAC1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole
SMILESc1cc(-c2ccc(-c3cn(Cc4ncc[nH]4)nn3)s2)[nH]n1
InChIInChI=1S/C13H11N7S/c1-2-12(21-11(1)9-3-4-16-17-9)10-7-20(19-18-10)8-13-14-5-6-15-13/h1-7H,8H2,(H,14,15)(H,16,17)
InChIKeyXCSJFIYXSPHWEG-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.17
Rot. Bonds4

About 1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole

1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole (PubChem CID 72900289) has the molecular formula C13H11N7S and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole
PubChem CID72900289
Molecular FormulaC13H11N7S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole
SMILESc1cc(-c2ccc(-c3cn(Cc4ncc[nH]4)nn3)s2)[nH]n1
InChIInChI=1S/C13H11N7S/c1-2-12(21-11(1)9-3-4-16-17-9)10-7-20(19-18-10)8-13-14-5-6-15-13/h1-7H,8H2,(H,14,15)(H,16,17)
InChIKeyXCSJFIYXSPHWEG-UHFFFAOYSA-N
XLogP2.17
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole (CID 72900289) is 1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole is c1cc(-c2ccc(-c3cn(Cc4ncc[nH]4)nn3)s2)[nH]n1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole?
The InChIKey is XCSJFIYXSPHWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7S/c1-2-12(21-11(1)9-3-4-16-17-9)10-7-20(19-18-10)8-13-14-5-6-15-13/h1-7H,8H2,(H,14,15)(H,16,17).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole?
1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole has a molecular weight of 297.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]triazole is sourced from PubChem (CID 72900289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).