methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate

C11H10N4O4 — CID 169402146

IUPACmethyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate
SMILESCOC(=O)c1cc(-c2n[nH]nc2C(N)=O)ccc1O
InChIInChI=1S/C11H10N4O4/c1-19-11(18)6-4-5(2-3-7(6)16)8-9(10(12)17)14-15-13-8/h2-4,16H,1H3,(H2,12,17)(H,13,14,15)
InChIKeyOROFHKPCXVLSSA-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.06
Rot. Bonds3

About methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate

methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate (PubChem CID 169402146) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate
PubChem CID169402146
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Namemethyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate
SMILESCOC(=O)c1cc(-c2n[nH]nc2C(N)=O)ccc1O
InChIInChI=1S/C11H10N4O4/c1-19-11(18)6-4-5(2-3-7(6)16)8-9(10(12)17)14-15-13-8/h2-4,16H,1H3,(H2,12,17)(H,13,14,15)
InChIKeyOROFHKPCXVLSSA-UHFFFAOYSA-N
XLogP0.06
TPSA131.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
methyl 5-(3,4-dimethylphenyl)-2H-triazole-4-carboxylate
CID 121003420
5-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169402148
5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 169403054
5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402317
5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
[4-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenyl] 4-methylbenzoate
CID 169403764
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402966
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate?
The IUPAC name of methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate (CID 169402146) is methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate?
The canonical SMILES for methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate is COC(=O)c1cc(-c2n[nH]nc2C(N)=O)ccc1O.
What is the InChIKey of methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate?
The InChIKey is OROFHKPCXVLSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-19-11(18)6-4-5(2-3-7(6)16)8-9(10(12)17)14-15-13-8/h2-4,16H,1H3,(H2,12,17)(H,13,14,15).
What are the key properties of methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate?
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate has a molecular weight of 262.23 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate is sourced from PubChem (CID 169402146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).