4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine

C14H22N6O — CID 71928118

IUPAC4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(C2CN(Cc3nccn3CC)CCO2)n[nH]1
InChIInChI=1S/C14H22N6O/c1-3-12-16-14(18-17-12)11-9-19(7-8-21-11)10-13-15-5-6-20(13)4-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,17,18)
InChIKeyUMEYZEDPKVZMGC-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.16
Rot. Bonds5

About 4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine

4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 71928118) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID71928118
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(C2CN(Cc3nccn3CC)CCO2)n[nH]1
InChIInChI=1S/C14H22N6O/c1-3-12-16-14(18-17-12)11-9-19(7-8-21-11)10-13-15-5-6-20(13)4-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,17,18)
InChIKeyUMEYZEDPKVZMGC-UHFFFAOYSA-N
XLogP1.16
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (CID 71928118) is 4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is CCc1nc(C2CN(Cc3nccn3CC)CCO2)n[nH]1.
What is the InChIKey of 4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is UMEYZEDPKVZMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-12-16-14(18-17-12)11-9-19(7-8-21-11)10-13-15-5-6-20(13)4-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 290.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 71928118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).