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

C5H5N5 — CID 937330

IUPAC5-imidazol-1-yl-1H-1,2,4-triazole
SMILESc1cn(-c2ncn[nH]2)cn1
InChIInChI=1S/C5H5N5/c1-2-10(4-6-1)5-7-3-8-9-5/h1-4H,(H,7,8,9)
InChIKeyWHPWNKGOWDUJOY-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.01
Rot. Bonds1

About 5-imidazol-1-yl-1H-1,2,4-triazole

5-imidazol-1-yl-1H-1,2,4-triazole (PubChem CID 937330) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 5-imidazol-1-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-imidazol-1-yl-1H-1,2,4-triazole
PubChem CID937330
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name5-imidazol-1-yl-1H-1,2,4-triazole
SMILESc1cn(-c2ncn[nH]2)cn1
InChIInChI=1S/C5H5N5/c1-2-10(4-6-1)5-7-3-8-9-5/h1-4H,(H,7,8,9)
InChIKeyWHPWNKGOWDUJOY-UHFFFAOYSA-N
XLogP-0.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-1H-1,2,4-triazole?
The IUPAC name of 5-imidazol-1-yl-1H-1,2,4-triazole (CID 937330) is 5-imidazol-1-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-imidazol-1-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-imidazol-1-yl-1H-1,2,4-triazole is c1cn(-c2ncn[nH]2)cn1.
What is the InChIKey of 5-imidazol-1-yl-1H-1,2,4-triazole?
The InChIKey is WHPWNKGOWDUJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c1-2-10(4-6-1)5-7-3-8-9-5/h1-4H,(H,7,8,9).
What are the key properties of 5-imidazol-1-yl-1H-1,2,4-triazole?
5-imidazol-1-yl-1H-1,2,4-triazole has a molecular weight of 135.13 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-1H-1,2,4-triazole is sourced from PubChem (CID 937330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).