1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid

C13H14N4O4 — CID 175275968

IUPAC1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(-n3cc(CCO)nn3)ccc2N1O
InChIInChI=1S/C13H14N4O4/c18-4-3-9-7-16(15-14-9)10-1-2-11-8(5-10)6-12(13(19)20)17(11)21/h1-2,5,7,12,18,21H,3-4,6H2,(H,19,20)
InChIKeyIMLQDGWCVWCNJE-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.01
Rot. Bonds4

About 1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid

1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 175275968) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID175275968
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(-n3cc(CCO)nn3)ccc2N1O
InChIInChI=1S/C13H14N4O4/c18-4-3-9-7-16(15-14-9)10-1-2-11-8(5-10)6-12(13(19)20)17(11)21/h1-2,5,7,12,18,21H,3-4,6H2,(H,19,20)
InChIKeyIMLQDGWCVWCNJE-UHFFFAOYSA-N
XLogP0.01
TPSA111.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid (CID 175275968) is 1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2cc(-n3cc(CCO)nn3)ccc2N1O.
What is the InChIKey of 1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is IMLQDGWCVWCNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c18-4-3-9-7-16(15-14-9)10-1-2-11-8(5-10)6-12(13(19)20)17(11)21/h1-2,5,7,12,18,21H,3-4,6H2,(H,19,20).
What are the key properties of 1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid?
1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 175275968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).