1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride

C21H24ClN5O3 — CID 90047252

IUPAC1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCCOc1cccc(-n2cc(C(=O)Nc3ccc(C4CNCCO4)cc3)nn2)c1.Cl
InChIInChI=1S/C21H23N5O3.ClH/c1-2-28-18-5-3-4-17(12-18)26-14-19(24-25-26)21(27)23-16-8-6-15(7-9-16)20-13-22-10-11-29-20;/h3-9,12,14,20,22H,2,10-11,13H2,1H3,(H,23,27);1H
InChIKeyADZIFVCXSSFQLR-UHFFFAOYSA-N
MW429.91 g/mol
LogP3.00
Rot. Bonds6

About 1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride

1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride (PubChem CID 90047252) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
PubChem CID90047252
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCCOc1cccc(-n2cc(C(=O)Nc3ccc(C4CNCCO4)cc3)nn2)c1.Cl
InChIInChI=1S/C21H23N5O3.ClH/c1-2-28-18-5-3-4-17(12-18)26-14-19(24-25-26)21(27)23-16-8-6-15(7-9-16)20-13-22-10-11-29-20;/h3-9,12,14,20,22H,2,10-11,13H2,1H3,(H,23,27);1H
InChIKeyADZIFVCXSSFQLR-UHFFFAOYSA-N
XLogP3.00
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride (CID 90047252) is 1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride is CCOc1cccc(-n2cc(C(=O)Nc3ccc(C4CNCCO4)cc3)nn2)c1.Cl.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is ADZIFVCXSSFQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3.ClH/c1-2-28-18-5-3-4-17(12-18)26-14-19(24-25-26)21(27)23-16-8-6-15(7-9-16)20-13-22-10-11-29-20;/h3-9,12,14,20,22H,2,10-11,13H2,1H3,(H,23,27);1H.
What are the key properties of 1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride?
1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 429.91 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 90047252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).