1H-imidazole;1H-1,2,4-triazole

C5H7N5 — CID 22376974

IUPAC1H-imidazole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1nc[nH]n1
InChIInChI=1S/C3H4N2.C2H3N3/c1-2-5-3-4-1;1-3-2-5-4-1/h1-3H,(H,4,5);1-2H,(H,3,4,5)
InChIKeyGNAKWWUXGVXJTF-UHFFFAOYSA-N
MW137.15 g/mol
LogP0.21
Rot. Bonds

About 1H-imidazole;1H-1,2,4-triazole

1H-imidazole;1H-1,2,4-triazole (PubChem CID 22376974) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 1H-imidazole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-imidazole;1H-1,2,4-triazole
PubChem CID22376974
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name1H-imidazole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1nc[nH]n1
InChIInChI=1S/C3H4N2.C2H3N3/c1-2-5-3-4-1;1-3-2-5-4-1/h1-3H,(H,4,5);1-2H,(H,3,4,5)
InChIKeyGNAKWWUXGVXJTF-UHFFFAOYSA-N
XLogP0.21
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1H-1,2,4-triazole?
The IUPAC name of 1H-imidazole;1H-1,2,4-triazole (CID 22376974) is 1H-imidazole;1H-1,2,4-triazole.
What is the SMILES notation for 1H-imidazole;1H-1,2,4-triazole?
The canonical SMILES for 1H-imidazole;1H-1,2,4-triazole is c1c[nH]cn1.c1nc[nH]n1.
What is the InChIKey of 1H-imidazole;1H-1,2,4-triazole?
The InChIKey is GNAKWWUXGVXJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H3N3/c1-2-5-3-4-1;1-3-2-5-4-1/h1-3H,(H,4,5);1-2H,(H,3,4,5).
What are the key properties of 1H-imidazole;1H-1,2,4-triazole?
1H-imidazole;1H-1,2,4-triazole has a molecular weight of 137.15 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1H-1,2,4-triazole is sourced from PubChem (CID 22376974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).