2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine

C17H20N6O2 — CID 72846054

IUPAC2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine
SMILESCOc1ccc(-n2cccn2)c(-c2cn(CC3CNCCO3)nn2)c1
InChIInChI=1S/C17H20N6O2/c1-24-13-3-4-17(23-7-2-5-19-23)15(9-13)16-12-22(21-20-16)11-14-10-18-6-8-25-14/h2-5,7,9,12,14,18H,6,8,10-11H2,1H3
InChIKeyOAVFEVSZJABUCU-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.13
Rot. Bonds5

About 2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine

2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine (PubChem CID 72846054) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine
PubChem CID72846054
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine
SMILESCOc1ccc(-n2cccn2)c(-c2cn(CC3CNCCO3)nn2)c1
InChIInChI=1S/C17H20N6O2/c1-24-13-3-4-17(23-7-2-5-19-23)15(9-13)16-12-22(21-20-16)11-14-10-18-6-8-25-14/h2-5,7,9,12,14,18H,6,8,10-11H2,1H3
InChIKeyOAVFEVSZJABUCU-UHFFFAOYSA-N
XLogP1.13
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine
CID 97188510
(2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine
CID 97204026
2-[(4-methoxypyrazol-1-yl)methyl]morpholine
CID 130511290
2-[(4-chloropyrazol-1-yl)methyl]morpholine
CID 64535065
4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine
CID 157018475
1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole
CID 72931099
2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine
CID 116868512
1-(2-tert-butyl-4-methoxyphenyl)pyrazole
CID 160761915
2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine
CID 79512215
2-[4-(2-chloro-5-methoxyphenyl)triazol-1-yl]-1-(2-methylpiperazin-1-yl)ethanone
CID 167828184
1-[2-[4-(5-fluoro-2-pyrazol-1-ylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole
CID 72844147
4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869588

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine?
The IUPAC name of 2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine (CID 72846054) is 2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine.
What is the SMILES notation for 2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine?
The canonical SMILES for 2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine is COc1ccc(-n2cccn2)c(-c2cn(CC3CNCCO3)nn2)c1.
What is the InChIKey of 2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine?
The InChIKey is OAVFEVSZJABUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-24-13-3-4-17(23-7-2-5-19-23)15(9-13)16-12-22(21-20-16)11-14-10-18-6-8-25-14/h2-5,7,9,12,14,18H,6,8,10-11H2,1H3.
What are the key properties of 2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine?
2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine has a molecular weight of 340.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine is sourced from PubChem (CID 72846054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).