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

C20H21N7O2 — CID 22479936

IUPAC4-[2-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine
SMILESc1cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)ccc1OCCN1CCOCC1
InChIInChI=1S/C20H21N7O2/c1-4-16(29-12-9-27-7-10-28-11-8-27)5-2-14(1)19-17-13-15(20-23-25-26-24-20)3-6-18(17)21-22-19/h1-6,13H,7-12H2,(H,21,22)(H,23,24,25,26)
InChIKeyHSZUDLJGFIRCJI-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.12
Rot. Bonds6

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

4-[2-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine (PubChem CID 22479936) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 4-[2-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine
PubChem CID22479936
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name4-[2-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine
SMILESc1cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)ccc1OCCN1CCOCC1
InChIInChI=1S/C20H21N7O2/c1-4-16(29-12-9-27-7-10-28-11-8-27)5-2-14(1)19-17-13-15(20-23-25-26-24-20)3-6-18(17)21-22-19/h1-6,13H,7-12H2,(H,21,22)(H,23,24,25,26)
InChIKeyHSZUDLJGFIRCJI-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-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine (CID 22479936) is 4-[2-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine is c1cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)ccc1OCCN1CCOCC1.
What is the InChIKey of 4-[2-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine?
The InChIKey is HSZUDLJGFIRCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-4-16(29-12-9-27-7-10-28-11-8-27)5-2-14(1)19-17-13-15(20-23-25-26-24-20)3-6-18(17)21-22-19/h1-6,13H,7-12H2,(H,21,22)(H,23,24,25,26).
What are the key properties of 4-[2-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine?
4-[2-[4-[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-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 22479936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).