2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid

C15H15N7O2 — CID 154563353

IUPAC2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(-c2ccccn2)nc1C1CCc2ncnn2C1
InChIInChI=1S/C15H15N7O2/c23-13(24)8-22-15(10-4-5-12-17-9-18-21(12)7-10)19-14(20-22)11-3-1-2-6-16-11/h1-3,6,9-10H,4-5,7-8H2,(H,23,24)
InChIKeyNEWCAARBORRUQT-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.75
Rot. Bonds4

About 2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid

2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid (PubChem CID 154563353) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid
PubChem CID154563353
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(-c2ccccn2)nc1C1CCc2ncnn2C1
InChIInChI=1S/C15H15N7O2/c23-13(24)8-22-15(10-4-5-12-17-9-18-21(12)7-10)19-14(20-22)11-3-1-2-6-16-11/h1-3,6,9-10H,4-5,7-8H2,(H,23,24)
InChIKeyNEWCAARBORRUQT-UHFFFAOYSA-N
XLogP0.75
TPSA111.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid?
The IUPAC name of 2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid (CID 154563353) is 2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid is O=C(O)Cn1nc(-c2ccccn2)nc1C1CCc2ncnn2C1.
What is the InChIKey of 2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid?
The InChIKey is NEWCAARBORRUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c23-13(24)8-22-15(10-4-5-12-17-9-18-21(12)7-10)19-14(20-22)11-3-1-2-6-16-11/h1-3,6,9-10H,4-5,7-8H2,(H,23,24).
What are the key properties of 2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid?
2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid has a molecular weight of 325.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid is sourced from PubChem (CID 154563353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).