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

C20H21N7O2 — CID 22479766

IUPAC4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine
SMILESc1cc(OCCN2CCOCC2)cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C20H21N7O2/c1-2-14(12-16(3-1)29-11-8-27-6-9-28-10-7-27)19-17-13-15(20-23-25-26-24-20)4-5-18(17)21-22-19/h1-5,12-13H,6-11H2,(H,21,22)(H,23,24,25,26)
InChIKeyVENMEIVANNVGBO-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.12
Rot. Bonds6

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

4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine (PubChem CID 22479766) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine
PubChem CID22479766
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine
SMILESc1cc(OCCN2CCOCC2)cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C20H21N7O2/c1-2-14(12-16(3-1)29-11-8-27-6-9-28-10-7-27)19-17-13-15(20-23-25-26-24-20)4-5-18(17)21-22-19/h1-5,12-13H,6-11H2,(H,21,22)(H,23,24,25,26)
InChIKeyVENMEIVANNVGBO-UHFFFAOYSA-N
XLogP2.12
TPSA104.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine (CID 22479766) is 4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine is c1cc(OCCN2CCOCC2)cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1.
What is the InChIKey of 4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine?
The InChIKey is VENMEIVANNVGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-2-14(12-16(3-1)29-11-8-27-6-9-28-10-7-27)19-17-13-15(20-23-25-26-24-20)4-5-18(17)21-22-19/h1-5,12-13H,6-11H2,(H,21,22)(H,23,24,25,26).
What are the key properties of 4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine?
4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine has a molecular weight of 391.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 22479766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).