[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone

C12H16N6O2 — CID 71872925

IUPAC[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
SMILESCCc1nc(C2CN(C(=O)c3cnc[nH]3)CCO2)n[nH]1
InChIInChI=1S/C12H16N6O2/c1-2-10-15-11(17-16-10)9-6-18(3-4-20-9)12(19)8-5-13-7-14-8/h5,7,9H,2-4,6H2,1H3,(H,13,14)(H,15,16,17)
InChIKeySFAUBMJIYRJFIQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.30
Rot. Bonds3

About [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone

[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 71872925) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
PubChem CID71872925
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
SMILESCCc1nc(C2CN(C(=O)c3cnc[nH]3)CCO2)n[nH]1
InChIInChI=1S/C12H16N6O2/c1-2-10-15-11(17-16-10)9-6-18(3-4-20-9)12(19)8-5-13-7-14-8/h5,7,9H,2-4,6H2,1H3,(H,13,14)(H,15,16,17)
InChIKeySFAUBMJIYRJFIQ-UHFFFAOYSA-N
XLogP0.30
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607635
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996893
(4-chloro-1H-pyrrol-2-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 71928757
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 96996948
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 97059631
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059633
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996940
1H-imidazol-5-yl-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125016046
5-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 96996895
5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 96996894
2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71928809
[(1R,2S)-2-cyclohexylcyclopropyl]-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129425416

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone (CID 71872925) is [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone is CCc1nc(C2CN(C(=O)c3cnc[nH]3)CCO2)n[nH]1.
What is the InChIKey of [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is SFAUBMJIYRJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-2-10-15-11(17-16-10)9-6-18(3-4-20-9)12(19)8-5-13-7-14-8/h5,7,9H,2-4,6H2,1H3,(H,13,14)(H,15,16,17).
What are the key properties of [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone?
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 276.30 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 71872925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).