1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole

C11H14N8O — CID 66752055

IUPAC1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cn[nH]c1.c1cocn1.c1nc[nH]n1
InChIInChI=1S/2C3H4N2.C3H3NO.C2H3N3/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1/h2*1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5)
InChIKeyIJUJYPPPVQTTHW-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.30
Rot. Bonds

About 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole

1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole (PubChem CID 66752055) has the molecular formula C11H14N8O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole
PubChem CID66752055
Molecular FormulaC11H14N8O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cn[nH]c1.c1cocn1.c1nc[nH]n1
InChIInChI=1S/2C3H4N2.C3H3NO.C2H3N3/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1/h2*1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5)
InChIKeyIJUJYPPPVQTTHW-UHFFFAOYSA-N
XLogP1.30
TPSA124.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole?
The IUPAC name of 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole (CID 66752055) is 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole.
What is the SMILES notation for 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole?
The canonical SMILES for 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole is c1c[nH]cn1.c1cn[nH]c1.c1cocn1.c1nc[nH]n1.
What is the InChIKey of 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole?
The InChIKey is IJUJYPPPVQTTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4N2.C3H3NO.C2H3N3/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1/h2*1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5).
What are the key properties of 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole?
1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole has a molecular weight of 274.29 g/mol, XLogP of 1.30, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-1,2,4-triazole is sourced from PubChem (CID 66752055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).