5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide

C17H16N4O3 — CID 169402081

IUPAC5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1ccc(-c2n[nH]nc2C(N)=O)cc1OCc1ccccc1
InChIInChI=1S/C17H16N4O3/c1-23-13-8-7-12(15-16(17(18)22)20-21-19-15)9-14(13)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyZQIMPFWBFAMZKN-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.16
Rot. Bonds6

About 5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide

5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402081) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169402081
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1ccc(-c2n[nH]nc2C(N)=O)cc1OCc1ccccc1
InChIInChI=1S/C17H16N4O3/c1-23-13-8-7-12(15-16(17(18)22)20-21-19-15)9-14(13)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyZQIMPFWBFAMZKN-UHFFFAOYSA-N
XLogP2.16
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169403795
5-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402819
ethyl 5-(4-methyl-3-phenylmethoxyphenyl)-2H-triazole-4-carboxylate
CID 169399374
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402338
5-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403507
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
ethyl 4-[5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenoxy]butanoate
CID 169403958
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide (CID 169402081) is 5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide is COc1ccc(-c2n[nH]nc2C(N)=O)cc1OCc1ccccc1.
What is the InChIKey of 5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is ZQIMPFWBFAMZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-13-8-7-12(15-16(17(18)22)20-21-19-15)9-14(13)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,18,22)(H,19,20,21).
What are the key properties of 5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide?
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).