3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole

C20H21N5O2 — CID 131894910

IUPAC3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole
SMILESCCn1nc(COc2ccccc2OC)nc1Cc1[nH]nc2ccccc12
InChIInChI=1S/C20H21N5O2/c1-3-25-20(12-16-14-8-4-5-9-15(14)22-23-16)21-19(24-25)13-27-18-11-7-6-10-17(18)26-2/h4-11H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyCTFNNRIMOBSIJF-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.35
Rot. Bonds7

About 3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole

3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole (PubChem CID 131894910) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole.

Molecular Properties

Compound Name3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole
PubChem CID131894910
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole
SMILESCCn1nc(COc2ccccc2OC)nc1Cc1[nH]nc2ccccc12
InChIInChI=1S/C20H21N5O2/c1-3-25-20(12-16-14-8-4-5-9-15(14)22-23-16)21-19(24-25)13-27-18-11-7-6-10-17(18)26-2/h4-11H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyCTFNNRIMOBSIJF-UHFFFAOYSA-N
XLogP3.35
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole with MolForge

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Related Compounds

5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
3-ethyl-2H-indazole;molecular hydrogen
CID 156727025
1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 131932189
1-[1-[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine;formic acid
CID 154911901
1-ethyl-2-[(2-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188610
2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117257564
5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117257566
3-ethyl-4-methoxy-2H-indazole
CID 76846083
2-[(2-methoxyphenoxy)methyl]-1-(1-phenylethyl)benzimidazole
CID 5088785
2H-indazol-3-ylmethyl acetate
CID 142092593
[3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54850918
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole?
The IUPAC name of 3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole (CID 131894910) is 3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole.
What is the SMILES notation for 3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole?
The canonical SMILES for 3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole is CCn1nc(COc2ccccc2OC)nc1Cc1[nH]nc2ccccc12.
What is the InChIKey of 3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole?
The InChIKey is CTFNNRIMOBSIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-25-20(12-16-14-8-4-5-9-15(14)22-23-16)21-19(24-25)13-27-18-11-7-6-10-17(18)26-2/h4-11H,3,12-13H2,1-2H3,(H,22,23).
What are the key properties of 3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole?
3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole has a molecular weight of 363.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]methyl]-2H-indazole is sourced from PubChem (CID 131894910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).