1-(2-imidazol-1-ylethyl)-1,2,4-triazole

C7H9N5 — CID 62959602

IUPAC1-(2-imidazol-1-ylethyl)-1,2,4-triazole
SMILESc1cn(CCn2cncn2)cn1
InChIInChI=1S/C7H9N5/c1-2-11(6-8-1)3-4-12-7-9-5-10-12/h1-2,5-7H,3-4H2
InChIKeyCROXAAGXTPLXFH-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.17
Rot. Bonds3

About 1-(2-imidazol-1-ylethyl)-1,2,4-triazole

1-(2-imidazol-1-ylethyl)-1,2,4-triazole (PubChem CID 62959602) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-1,2,4-triazole
PubChem CID62959602
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1-(2-imidazol-1-ylethyl)-1,2,4-triazole
SMILESc1cn(CCn2cncn2)cn1
InChIInChI=1S/C7H9N5/c1-2-11(6-8-1)3-4-12-7-9-5-10-12/h1-2,5-7H,3-4H2
InChIKeyCROXAAGXTPLXFH-UHFFFAOYSA-N
XLogP0.17
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-1,2,4-triazole?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-1,2,4-triazole (CID 62959602) is 1-(2-imidazol-1-ylethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-1,2,4-triazole is c1cn(CCn2cncn2)cn1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-1,2,4-triazole?
The InChIKey is CROXAAGXTPLXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-2-11(6-8-1)3-4-12-7-9-5-10-12/h1-2,5-7H,3-4H2.
What are the key properties of 1-(2-imidazol-1-ylethyl)-1,2,4-triazole?
1-(2-imidazol-1-ylethyl)-1,2,4-triazole has a molecular weight of 163.18 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-1,2,4-triazole is sourced from PubChem (CID 62959602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).