5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide

C17H15FN4O3 — CID 169403158

IUPAC5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(-c2n[nH]nc2C(N)=O)cc1OCc1ccccc1F
InChIInChI=1S/C17H15FN4O3/c1-24-13-7-6-10(15-16(17(19)23)21-22-20-15)8-14(13)25-9-11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyKOMQGCOHYHMIIB-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.30
Rot. Bonds6

About 5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide

5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide (PubChem CID 169403158) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
PubChem CID169403158
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(-c2n[nH]nc2C(N)=O)cc1OCc1ccccc1F
InChIInChI=1S/C17H15FN4O3/c1-24-13-7-6-10(15-16(17(19)23)21-22-20-15)8-14(13)25-9-11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyKOMQGCOHYHMIIB-UHFFFAOYSA-N
XLogP2.30
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
ethyl 5-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400090
5-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402819
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403329
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
ethyl 5-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169400372
5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402986
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402338
5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402827
ethyl 5-[3-[(2-carbamoylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169399837

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide (CID 169403158) is 5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide is COc1ccc(-c2n[nH]nc2C(N)=O)cc1OCc1ccccc1F.
What is the InChIKey of 5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The InChIKey is KOMQGCOHYHMIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-24-13-7-6-10(15-16(17(19)23)21-22-20-15)8-14(13)25-9-11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H2,19,23)(H,20,21,22).
What are the key properties of 5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide?
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).