2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine

C14H22N6O — CID 71878566

IUPAC2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
SMILESCc1nc(C)n(CC2CN(Cc3nccn3C)CCO2)n1
InChIInChI=1S/C14H22N6O/c1-11-16-12(2)20(17-11)9-13-8-19(6-7-21-13)10-14-15-4-5-18(14)3/h4-5,13H,6-10H2,1-3H3
InChIKeyDAUKODMXBXGXJO-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.53
Rot. Bonds4

About 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine

2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine (PubChem CID 71878566) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
PubChem CID71878566
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
SMILESCc1nc(C)n(CC2CN(Cc3nccn3C)CCO2)n1
InChIInChI=1S/C14H22N6O/c1-11-16-12(2)20(17-11)9-13-8-19(6-7-21-13)10-14-15-4-5-18(14)3/h4-5,13H,6-10H2,1-3H3
InChIKeyDAUKODMXBXGXJO-UHFFFAOYSA-N
XLogP0.53
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The IUPAC name of 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine (CID 71878566) is 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine is Cc1nc(C)n(CC2CN(Cc3nccn3C)CCO2)n1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The InChIKey is DAUKODMXBXGXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11-16-12(2)20(17-11)9-13-8-19(6-7-21-13)10-14-15-4-5-18(14)3/h4-5,13H,6-10H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine?
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine has a molecular weight of 290.37 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 71878566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).