5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide

C19H20N4O2 — CID 169404204

IUPAC5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide
SMILESCC(C)(C)c1ccc(Oc2ccccc2-c2n[nH]nc2C(N)=O)cc1
InChIInChI=1S/C19H20N4O2/c1-19(2,3)12-8-10-13(11-9-12)25-15-7-5-4-6-14(15)16-17(18(20)24)22-23-21-16/h4-11H,1-3H3,(H2,20,24)(H,21,22,23)
InChIKeyWCJQEIJFQMUTHC-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.66
Rot. Bonds4

About 5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide

5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169404204) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide
PubChem CID169404204
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide
SMILESCC(C)(C)c1ccc(Oc2ccccc2-c2n[nH]nc2C(N)=O)cc1
InChIInChI=1S/C19H20N4O2/c1-19(2,3)12-8-10-13(11-9-12)25-15-7-5-4-6-14(15)16-17(18(20)24)22-23-21-16/h4-11H,1-3H3,(H2,20,24)(H,21,22,23)
InChIKeyWCJQEIJFQMUTHC-UHFFFAOYSA-N
XLogP3.66
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[2-(4-fluorophenoxy)phenyl]-2H-triazole-4-carboxylate
CID 169399795
ethyl 5-[2-(3-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxylate
CID 169401331
5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402614
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402786
5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide
CID 169404622
5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide
CID 169402107
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid
CID 174218489
5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide
CID 169402539
5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169403137
5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403663
5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169403044

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide (CID 169404204) is 5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide is CC(C)(C)c1ccc(Oc2ccccc2-c2n[nH]nc2C(N)=O)cc1.
What is the InChIKey of 5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is WCJQEIJFQMUTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-19(2,3)12-8-10-13(11-9-12)25-15-7-5-4-6-14(15)16-17(18(20)24)22-23-21-16/h4-11H,1-3H3,(H2,20,24)(H,21,22,23).
What are the key properties of 5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide?
5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).