4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine

C14H18N4O3 — CID 162638224

IUPAC4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
SMILESCOc1cccc(OC)c1-c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C14H18N4O3/c1-19-10-4-3-5-11(20-2)12(10)13-15-14(17-16-13)18-6-8-21-9-7-18/h3-5H,6-9H2,1-2H3,(H,15,16,17)
InChIKeyVAOFYFDRLFTJGU-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.33
Rot. Bonds4

About 4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine

4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine (PubChem CID 162638224) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
PubChem CID162638224
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
SMILESCOc1cccc(OC)c1-c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C14H18N4O3/c1-19-10-4-3-5-11(20-2)12(10)13-15-14(17-16-13)18-6-8-21-9-7-18/h3-5H,6-9H2,1-2H3,(H,15,16,17)
InChIKeyVAOFYFDRLFTJGU-UHFFFAOYSA-N
XLogP1.33
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 157015654
4-[5-(3-butoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 162629868
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572
4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 157016401
4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
4-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-1,2,4-triazol-3-yl]morpholine
CID 155915225
4-[5-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-3-yl]morpholine
CID 10037615
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
methyl 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylate
CID 67294429
1-[5-(4-bromo-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792751
4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide
CID 110205704
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine (CID 162638224) is 4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine is COc1cccc(OC)c1-c1nc(N2CCOCC2)n[nH]1.
What is the InChIKey of 4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine?
The InChIKey is VAOFYFDRLFTJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-19-10-4-3-5-11(20-2)12(10)13-15-14(17-16-13)18-6-8-21-9-7-18/h3-5H,6-9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine?
4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine has a molecular weight of 290.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 162638224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).