4-imidazol-1-yl-1,2,4-triazole

C5H5N5 — CID 139111278

IUPAC4-imidazol-1-yl-1,2,4-triazole
SMILESc1cn(-n2cnnc2)cn1
InChIInChI=1S/C5H5N5/c1-2-9(3-6-1)10-4-7-8-5-10/h1-5H
InChIKeyDEUUJCRXQVGBIW-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.21
Rot. Bonds1

About 4-imidazol-1-yl-1,2,4-triazole

4-imidazol-1-yl-1,2,4-triazole (PubChem CID 139111278) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 4-imidazol-1-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-imidazol-1-yl-1,2,4-triazole
PubChem CID139111278
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name4-imidazol-1-yl-1,2,4-triazole
SMILESc1cn(-n2cnnc2)cn1
InChIInChI=1S/C5H5N5/c1-2-9(3-6-1)10-4-7-8-5-10/h1-5H
InChIKeyDEUUJCRXQVGBIW-UHFFFAOYSA-N
XLogP-0.21
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1,2,4-triazole?
The IUPAC name of 4-imidazol-1-yl-1,2,4-triazole (CID 139111278) is 4-imidazol-1-yl-1,2,4-triazole.
What is the SMILES notation for 4-imidazol-1-yl-1,2,4-triazole?
The canonical SMILES for 4-imidazol-1-yl-1,2,4-triazole is c1cn(-n2cnnc2)cn1.
What is the InChIKey of 4-imidazol-1-yl-1,2,4-triazole?
The InChIKey is DEUUJCRXQVGBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c1-2-9(3-6-1)10-4-7-8-5-10/h1-5H.
What are the key properties of 4-imidazol-1-yl-1,2,4-triazole?
4-imidazol-1-yl-1,2,4-triazole has a molecular weight of 135.13 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1,2,4-triazole is sourced from PubChem (CID 139111278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).