1-ethyl-1,2,4-triazole;1,3-oxazole

C7H10N4O — CID 175310584

IUPAC1-ethyl-1,2,4-triazole;1,3-oxazole
SMILESCCn1cncn1.c1cocn1
InChIInChI=1S/C4H7N3.C3H3NO/c1-2-7-4-5-3-6-7;1-2-5-3-4-1/h3-4H,2H2,1H3;1-3H
InChIKeyRJMULZBAWRSAOZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.97
Rot. Bonds1

About 1-ethyl-1,2,4-triazole;1,3-oxazole

1-ethyl-1,2,4-triazole;1,3-oxazole (PubChem CID 175310584) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-ethyl-1,2,4-triazole;1,3-oxazole.

Molecular Properties

Compound Name1-ethyl-1,2,4-triazole;1,3-oxazole
PubChem CID175310584
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-ethyl-1,2,4-triazole;1,3-oxazole
SMILESCCn1cncn1.c1cocn1
InChIInChI=1S/C4H7N3.C3H3NO/c1-2-7-4-5-3-6-7;1-2-5-3-4-1/h3-4H,2H2,1H3;1-3H
InChIKeyRJMULZBAWRSAOZ-UHFFFAOYSA-N
XLogP0.97
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1,2,4-triazol-1-ylmethylsilane
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1-[[(2R,3R)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
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(2S)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 59990743
1-(3-methylsulfanylpropyl)-1,2,4-triazole
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N,N-dimethyl-1-(1,2,4-triazol-1-yl)methanamine;vanadium
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2,4-triazole;1,3-oxazole?
The IUPAC name of 1-ethyl-1,2,4-triazole;1,3-oxazole (CID 175310584) is 1-ethyl-1,2,4-triazole;1,3-oxazole.
What is the SMILES notation for 1-ethyl-1,2,4-triazole;1,3-oxazole?
The canonical SMILES for 1-ethyl-1,2,4-triazole;1,3-oxazole is CCn1cncn1.c1cocn1.
What is the InChIKey of 1-ethyl-1,2,4-triazole;1,3-oxazole?
The InChIKey is RJMULZBAWRSAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.C3H3NO/c1-2-7-4-5-3-6-7;1-2-5-3-4-1/h3-4H,2H2,1H3;1-3H.
What are the key properties of 1-ethyl-1,2,4-triazole;1,3-oxazole?
1-ethyl-1,2,4-triazole;1,3-oxazole has a molecular weight of 166.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2,4-triazole;1,3-oxazole is sourced from PubChem (CID 175310584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).