1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole

C7H9N5 — CID 136648462

IUPAC1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole
SMILESCCn1ncnc1-c1cnc[nH]1
InChIInChI=1S/C7H9N5/c1-2-12-7(10-5-11-12)6-3-8-4-9-6/h3-5H,2H2,1H3,(H,8,9)
InChIKeyPYKLRMYGJPKDKW-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.69
Rot. Bonds2

About 1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole

1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole (PubChem CID 136648462) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole
PubChem CID136648462
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole
SMILESCCn1ncnc1-c1cnc[nH]1
InChIInChI=1S/C7H9N5/c1-2-12-7(10-5-11-12)6-3-8-4-9-6/h3-5H,2H2,1H3,(H,8,9)
InChIKeyPYKLRMYGJPKDKW-UHFFFAOYSA-N
XLogP0.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole (CID 136648462) is 1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole is CCn1ncnc1-c1cnc[nH]1.
What is the InChIKey of 1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole?
The InChIKey is PYKLRMYGJPKDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-2-12-7(10-5-11-12)6-3-8-4-9-6/h3-5H,2H2,1H3,(H,8,9).
What are the key properties of 1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole?
1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole has a molecular weight of 163.18 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(1H-imidazol-5-yl)-1,2,4-triazole is sourced from PubChem (CID 136648462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).