5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid

C14H14N4O3 — CID 82199263

IUPAC5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid
SMILESCC(C)(C)c1c(C#N)nnn1-c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H14N4O3/c1-14(2,3)12-10(7-15)16-17-18(12)8-4-5-11(19)9(6-8)13(20)21/h4-6,19H,1-3H3,(H,20,21)
InChIKeyDIZNZKDAZYXZON-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.84
Rot. Bonds2

About 5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid

5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid (PubChem CID 82199263) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid
PubChem CID82199263
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid
SMILESCC(C)(C)c1c(C#N)nnn1-c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H14N4O3/c1-14(2,3)12-10(7-15)16-17-18(12)8-4-5-11(19)9(6-8)13(20)21/h4-6,19H,1-3H3,(H,20,21)
InChIKeyDIZNZKDAZYXZON-UHFFFAOYSA-N
XLogP1.84
TPSA112.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-1-(3,5-dichlorophenyl)triazole-4-carbonitrile
CID 82196612
5-tert-butyl-1-(3,5-dimethylphenyl)triazole-4-carbonitrile
CID 82198704
5-(4-acetyl-5-methyltriazol-1-yl)-2-hydroxybenzoic acid
CID 82201506
5-tert-butyl-1-(4-ethoxyphenyl)triazole-4-carbonitrile
CID 82195986
2-chloro-5-[4-cyano-5-(methoxymethyl)triazol-1-yl]benzoic acid
CID 82197850
5-tert-butyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carbonitrile
CID 94939957
5-tert-butyl-1-(2,5-dimethylphenyl)triazole-4-carbonitrile
CID 82195795
5-[4-(2-carboxyethyl)-5-methyltriazol-1-yl]-2-hydroxybenzoic acid
CID 82199310
5-butyl-1-(3-carboxy-4-hydroxyphenyl)triazole-4-carboxylic acid
CID 82201048
5-(4-formyl-5-phenyltriazol-1-yl)-2-hydroxybenzoic acid
CID 94938925
2-hydroxy-5-(tetrazol-1-yl)benzoic acid
CID 3136529
5-tert-butyl-1-(4-chloro-2-methylphenyl)triazole-4-carbonitrile
CID 82195201

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid (CID 82199263) is 5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid is CC(C)(C)c1c(C#N)nnn1-c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid?
The InChIKey is DIZNZKDAZYXZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-14(2,3)12-10(7-15)16-17-18(12)8-4-5-11(19)9(6-8)13(20)21/h4-6,19H,1-3H3,(H,20,21).
What are the key properties of 5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid?
5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid has a molecular weight of 286.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-4-cyanotriazol-1-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 82199263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).