5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide

C19H20N4O3 — CID 169402827

IUPAC5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCCc1ccc(OCc2cc(-c3n[nH]nc3C(N)=O)ccc2OC)cc1
InChIInChI=1S/C19H20N4O3/c1-3-12-4-7-15(8-5-12)26-11-14-10-13(6-9-16(14)25-2)17-18(19(20)24)22-23-21-17/h4-10H,3,11H2,1-2H3,(H2,20,24)(H,21,22,23)
InChIKeyPBKSEVHFTSCFMW-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.72
Rot. Bonds7

About 5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide

5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide (PubChem CID 169402827) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
PubChem CID169402827
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCCc1ccc(OCc2cc(-c3n[nH]nc3C(N)=O)ccc2OC)cc1
InChIInChI=1S/C19H20N4O3/c1-3-12-4-7-15(8-5-12)26-11-14-10-13(6-9-16(14)25-2)17-18(19(20)24)22-23-21-17/h4-10H,3,11H2,1-2H3,(H2,20,24)(H,21,22,23)
InChIKeyPBKSEVHFTSCFMW-UHFFFAOYSA-N
XLogP2.72
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[4-methoxy-3-[(4-propan-2-ylphenoxy)methyl]phenyl]-2H-triazole-4-carboxylate
CID 169399842
5-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402819
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402986
5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402966
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
ethyl 5-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-2H-triazole-4-carboxylate
CID 169400019
ethyl 5-[3-[(2-carbamoylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169399837
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
ethyl 5-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169399844
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide (CID 169402827) is 5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide is CCc1ccc(OCc2cc(-c3n[nH]nc3C(N)=O)ccc2OC)cc1.
What is the InChIKey of 5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The InChIKey is PBKSEVHFTSCFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-12-4-7-15(8-5-12)26-11-14-10-13(6-9-16(14)25-2)17-18(19(20)24)22-23-21-17/h4-10H,3,11H2,1-2H3,(H2,20,24)(H,21,22,23).
What are the key properties of 5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide?
5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).