5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide

C17H16N4O2 — CID 169402321

IUPAC5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCc1ccc(-c2n[nH]nc2C(N)=O)c(OCc2ccccc2)c1
InChIInChI=1S/C17H16N4O2/c1-11-7-8-13(15-16(17(18)22)20-21-19-15)14(9-11)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyNFCRETDTFPSUOI-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.46
Rot. Bonds5

About 5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide

5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402321) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169402321
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCc1ccc(-c2n[nH]nc2C(N)=O)c(OCc2ccccc2)c1
InChIInChI=1S/C17H16N4O2/c1-11-7-8-13(15-16(17(18)22)20-21-19-15)14(9-11)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyNFCRETDTFPSUOI-UHFFFAOYSA-N
XLogP2.46
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169403795
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402786
5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403348
ethyl 5-(4-methyl-3-phenylmethoxyphenyl)-2H-triazole-4-carboxylate
CID 169399374
5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403701
2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
CID 11370597
5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide
CID 169403148
5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402724
5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402633
5-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403507

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide (CID 169402321) is 5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide is Cc1ccc(-c2n[nH]nc2C(N)=O)c(OCc2ccccc2)c1.
What is the InChIKey of 5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is NFCRETDTFPSUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-7-8-13(15-16(17(18)22)20-21-19-15)14(9-11)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,22)(H,19,20,21).
What are the key properties of 5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide?
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).