4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine

C20H24N6O — CID 154874001

IUPAC4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine
SMILESCc1ccccc1-c1nc(-c2nccnc2C)n(CCN2CCOCC2)n1
InChIInChI=1S/C20H24N6O/c1-15-5-3-4-6-17(15)19-23-20(18-16(2)21-7-8-22-18)26(24-19)10-9-25-11-13-27-14-12-25/h3-8H,9-14H2,1-2H3
InChIKeyQHRHRHKEUBWNLE-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.35
Rot. Bonds5

About 4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine

4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine (PubChem CID 154874001) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine
PubChem CID154874001
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine
SMILESCc1ccccc1-c1nc(-c2nccnc2C)n(CCN2CCOCC2)n1
InChIInChI=1S/C20H24N6O/c1-15-5-3-4-6-17(15)19-23-20(18-16(2)21-7-8-22-18)26(24-19)10-9-25-11-13-27-14-12-25/h3-8H,9-14H2,1-2H3
InChIKeyQHRHRHKEUBWNLE-UHFFFAOYSA-N
XLogP2.35
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine (CID 154874001) is 4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine is Cc1ccccc1-c1nc(-c2nccnc2C)n(CCN2CCOCC2)n1.
What is the InChIKey of 4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine?
The InChIKey is QHRHRHKEUBWNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15-5-3-4-6-17(15)19-23-20(18-16(2)21-7-8-22-18)26(24-19)10-9-25-11-13-27-14-12-25/h3-8H,9-14H2,1-2H3.
What are the key properties of 4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine?
4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine has a molecular weight of 364.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 154874001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).