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

C21H24ClN5O3 — CID 90047249

IUPAC2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCCOc1ccc(-n2ncc(C(=O)Nc3ccc(C4CNCCO4)cc3)n2)cc1.Cl
InChIInChI=1S/C21H23N5O3.ClH/c1-2-28-18-9-7-17(8-10-18)26-23-13-19(25-26)21(27)24-16-5-3-15(4-6-16)20-14-22-11-12-29-20;/h3-10,13,20,22H,2,11-12,14H2,1H3,(H,24,27);1H
InChIKeyNFZXEARLNOGVFQ-UHFFFAOYSA-N
MW429.91 g/mol
LogP3.00
Rot. Bonds6

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

2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride (PubChem CID 90047249) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
PubChem CID90047249
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCCOc1ccc(-n2ncc(C(=O)Nc3ccc(C4CNCCO4)cc3)n2)cc1.Cl
InChIInChI=1S/C21H23N5O3.ClH/c1-2-28-18-9-7-17(8-10-18)26-23-13-19(25-26)21(27)24-16-5-3-15(4-6-16)20-14-22-11-12-29-20;/h3-10,13,20,22H,2,11-12,14H2,1H3,(H,24,27);1H
InChIKeyNFZXEARLNOGVFQ-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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Related Compounds

2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
CID 90047217
1-[2-(4-ethoxyphenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 147141774
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047252
2-(3-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 159879125
5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175873849
1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087883
1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 160749062
1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087915
1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087671
1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 71087672
1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 159692507

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride (CID 90047249) is 2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride is CCOc1ccc(-n2ncc(C(=O)Nc3ccc(C4CNCCO4)cc3)n2)cc1.Cl.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is NFZXEARLNOGVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3.ClH/c1-2-28-18-9-7-17(8-10-18)26-23-13-19(25-26)21(27)24-16-5-3-15(4-6-16)20-14-22-11-12-29-20;/h3-10,13,20,22H,2,11-12,14H2,1H3,(H,24,27);1H.
What are the key properties of 2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride?
2-(4-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 2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 90047249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).