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

C21H25N5O2 — CID 134805116

IUPAC4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine
SMILESCOc1ccccc1-c1ccnc(-c2nnc(C)n2CCN2CCOCC2)c1
InChIInChI=1S/C21H25N5O2/c1-16-23-24-21(26(16)10-9-25-11-13-28-14-12-25)19-15-17(7-8-22-19)18-5-3-4-6-20(18)27-2/h3-8,15H,9-14H2,1-2H3
InChIKeyNXIXXMWITDLUIG-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.66
Rot. Bonds6

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

4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine (PubChem CID 134805116) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine
PubChem CID134805116
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine
SMILESCOc1ccccc1-c1ccnc(-c2nnc(C)n2CCN2CCOCC2)c1
InChIInChI=1S/C21H25N5O2/c1-16-23-24-21(26(16)10-9-25-11-13-28-14-12-25)19-15-17(7-8-22-19)18-5-3-4-6-20(18)27-2/h3-8,15H,9-14H2,1-2H3
InChIKeyNXIXXMWITDLUIG-UHFFFAOYSA-N
XLogP2.66
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine (CID 134805116) is 4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine is COc1ccccc1-c1ccnc(-c2nnc(C)n2CCN2CCOCC2)c1.
What is the InChIKey of 4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine?
The InChIKey is NXIXXMWITDLUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16-23-24-21(26(16)10-9-25-11-13-28-14-12-25)19-15-17(7-8-22-19)18-5-3-4-6-20(18)27-2/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine?
4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine has a molecular weight of 379.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[4-(2-methoxyphenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine is sourced from PubChem (CID 134805116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).