5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C17H23ClN4O2 — CID 131640782

IUPAC5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCCn1nnc2c1CCN(CCOc1ccc(Cl)cc1)C2COC
InChIInChI=1S/C17H23ClN4O2/c1-3-22-15-8-9-21(16(12-23-2)17(15)19-20-22)10-11-24-14-6-4-13(18)5-7-14/h4-7,16H,3,8-12H2,1-2H3
InChIKeyGJINYFIBVXYUCJ-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.58
Rot. Bonds7

About 5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 131640782) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID131640782
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCCn1nnc2c1CCN(CCOc1ccc(Cl)cc1)C2COC
InChIInChI=1S/C17H23ClN4O2/c1-3-22-15-8-9-21(16(12-23-2)17(15)19-20-22)10-11-24-14-6-4-13(18)5-7-14/h4-7,16H,3,8-12H2,1-2H3
InChIKeyGJINYFIBVXYUCJ-UHFFFAOYSA-N
XLogP2.58
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine with MolForge

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Related Compounds

1-ethyl-5-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131658268
[1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol
CID 82209233
[1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol
CID 82209227
[5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol
CID 94944971
3-[(2S,4R)-1-[2-(4-chlorophenoxy)ethyl]-4-methoxypyrrolidin-2-yl]-4-methyl-1,2,4-triazole
CID 128982102
5-tert-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-amine
CID 79542486
1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine
CID 79548359
5-tert-butyl-1-[2-(4-chlorophenoxy)ethyl]triazole-4-carbonitrile
CID 82209240
1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
CID 45252246
1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine
CID 82251821
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 111363421

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 131640782) is 5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is CCn1nnc2c1CCN(CCOc1ccc(Cl)cc1)C2COC.
What is the InChIKey of 5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is GJINYFIBVXYUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-3-22-15-8-9-21(16(12-23-2)17(15)19-20-22)10-11-24-14-6-4-13(18)5-7-14/h4-7,16H,3,8-12H2,1-2H3.
What are the key properties of 5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 350.85 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenoxy)ethyl]-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 131640782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).