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

C21H22N6O2 — CID 11710858

IUPAC4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine
SMILESc1cc(OCCN2CCOCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C21H22N6O2/c1-2-15(12-17(3-1)29-11-8-27-6-9-28-10-7-27)20-18-13-16(21-22-14-23-26-21)4-5-19(18)24-25-20/h1-5,12-14H,6-11H2,(H,24,25)(H,22,23,26)
InChIKeyCAWUSWZDZDROED-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.73
Rot. Bonds6

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

4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine (PubChem CID 11710858) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine
PubChem CID11710858
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine
SMILESc1cc(OCCN2CCOCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C21H22N6O2/c1-2-15(12-17(3-1)29-11-8-27-6-9-28-10-7-27)20-18-13-16(21-22-14-23-26-21)4-5-19(18)24-25-20/h1-5,12-14H,6-11H2,(H,24,25)(H,22,23,26)
InChIKeyCAWUSWZDZDROED-UHFFFAOYSA-N
XLogP2.73
TPSA91.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine (CID 11710858) is 4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine is c1cc(OCCN2CCOCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine?
The InChIKey is CAWUSWZDZDROED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-2-15(12-17(3-1)29-11-8-27-6-9-28-10-7-27)20-18-13-16(21-22-14-23-26-21)4-5-19(18)24-25-20/h1-5,12-14H,6-11H2,(H,24,25)(H,22,23,26).
What are the key properties of 4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine?
4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine has a molecular weight of 390.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 11710858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).