3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid

C12H11N5O2 — CID 167882834

IUPAC3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(-c2ccc3[nH]ncc3c2)nn1
InChIInChI=1S/C12H11N5O2/c18-12(19)3-4-17-7-11(15-16-17)8-1-2-10-9(5-8)6-13-14-10/h1-2,5-7H,3-4H2,(H,13,14)(H,18,19)
InChIKeyFKUAMSXZXUULKH-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.30
Rot. Bonds4

About 3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid

3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid (PubChem CID 167882834) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid
PubChem CID167882834
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(-c2ccc3[nH]ncc3c2)nn1
InChIInChI=1S/C12H11N5O2/c18-12(19)3-4-17-7-11(15-16-17)8-1-2-10-9(5-8)6-13-14-10/h1-2,5-7H,3-4H2,(H,13,14)(H,18,19)
InChIKeyFKUAMSXZXUULKH-UHFFFAOYSA-N
XLogP1.30
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-Benzyl-1h-1,2,3-triazol-4-yl)-1h-indazole
CID 25165861
5-(1-(3-methylbenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166053
5-(1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166056
5-(1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166057
5-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166058
5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole
CID 25164272
5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole
CID 25164882
5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole
CID 25164884
5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole
CID 25165084
5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole
CID 25166655
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(5-methylindazol-1-yl)propanamide
CID 52002556
5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole
CID 25166450

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid (CID 167882834) is 3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid is O=C(O)CCn1cc(-c2ccc3[nH]ncc3c2)nn1.
What is the InChIKey of 3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid?
The InChIKey is FKUAMSXZXUULKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c18-12(19)3-4-17-7-11(15-16-17)8-1-2-10-9(5-8)6-13-14-10/h1-2,5-7H,3-4H2,(H,13,14)(H,18,19).
What are the key properties of 3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid?
3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indazol-5-yl)triazol-1-yl]propanoic acid is sourced from PubChem (CID 167882834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).