N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine

C18H19N7O — CID 22479853

IUPACN,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C18H19N7O/c1-25(2)8-9-26-14-5-3-4-12(10-14)17-15-11-13(18-21-23-24-22-18)6-7-16(15)19-20-17/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)(H,21,22,23,24)
InChIKeyFFQALRGADKPNQG-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.35
Rot. Bonds6

About N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine

N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine (PubChem CID 22479853) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine
PubChem CID22479853
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC NameN,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C18H19N7O/c1-25(2)8-9-26-14-5-3-4-12(10-14)17-15-11-13(18-21-23-24-22-18)6-7-16(15)19-20-17/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)(H,21,22,23,24)
InChIKeyFFQALRGADKPNQG-UHFFFAOYSA-N
XLogP2.35
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine (CID 22479853) is N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine is CN(C)CCOc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1.
What is the InChIKey of N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine?
The InChIKey is FFQALRGADKPNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-25(2)8-9-26-14-5-3-4-12(10-14)17-15-11-13(18-21-23-24-22-18)6-7-16(15)19-20-17/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)(H,21,22,23,24).
What are the key properties of N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine?
N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine has a molecular weight of 349.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine is sourced from PubChem (CID 22479853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).