4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid

C13H14N4O2 — CID 82557107

IUPAC4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid
SMILESNc1nc2n(n1)CCC(c1ccc(C(=O)O)cc1)C2
InChIInChI=1S/C13H14N4O2/c14-13-15-11-7-10(5-6-17(11)16-13)8-1-3-9(4-2-8)12(18)19/h1-4,10H,5-7H2,(H2,14,16)(H,18,19)
InChIKeyNOUZBKFKDFZUBL-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.29
Rot. Bonds2

About 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid

4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid (PubChem CID 82557107) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid
PubChem CID82557107
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid
SMILESNc1nc2n(n1)CCC(c1ccc(C(=O)O)cc1)C2
InChIInChI=1S/C13H14N4O2/c14-13-15-11-7-10(5-6-17(11)16-13)8-1-3-9(4-2-8)12(18)19/h1-4,10H,5-7H2,(H2,14,16)(H,18,19)
InChIKeyNOUZBKFKDFZUBL-UHFFFAOYSA-N
XLogP1.29
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid?
The IUPAC name of 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid (CID 82557107) is 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid.
What is the SMILES notation for 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid?
The canonical SMILES for 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid is Nc1nc2n(n1)CCC(c1ccc(C(=O)O)cc1)C2.
What is the InChIKey of 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid?
The InChIKey is NOUZBKFKDFZUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-13-15-11-7-10(5-6-17(11)16-13)8-1-3-9(4-2-8)12(18)19/h1-4,10H,5-7H2,(H2,14,16)(H,18,19).
What are the key properties of 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid?
4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid is sourced from PubChem (CID 82557107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).