2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid

C13H10N4O2 — CID 82381527

IUPAC2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(-c2ccn3ncncc23)ccn1
InChIInChI=1S/C13H10N4O2/c18-13(19)6-10-5-9(1-3-15-10)11-2-4-17-12(11)7-14-8-16-17/h1-5,7-8H,6H2,(H,18,19)
InChIKeyNIAIAOLBHJYKTQ-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.42
Rot. Bonds3

About 2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid

2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid (PubChem CID 82381527) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid
PubChem CID82381527
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(-c2ccn3ncncc23)ccn1
InChIInChI=1S/C13H10N4O2/c18-13(19)6-10-5-9(1-3-15-10)11-2-4-17-12(11)7-14-8-16-17/h1-5,7-8H,6H2,(H,18,19)
InChIKeyNIAIAOLBHJYKTQ-UHFFFAOYSA-N
XLogP1.42
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314293
2-(4-imidazo[1,2-c]pyrimidin-5-yl-2-pyridinyl)acetic acid
CID 82381517
2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid
CID 82382049
2-(4-imidazo[1,2-a]pyridin-2-yl-2-pyridinyl)acetic acid
CID 82382048
2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid
CID 82378249
2-pyrazin-2-ylacetic acid
CID 19797048
4-(triazolo[1,5-a]pyridin-4-yl)pyridine-2-carboxylic acid
CID 82388094
pyrrolo[2,1-f][1,2,4]triazin-5-amine
CID 92845208
3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115003999
2-(4-cyclopropyl-2-pyridinyl)acetic acid
CID 118209456
3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanoic acid;sulfuric acid
CID 134208670
2-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]acetic acid
CID 91297919

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid (CID 82381527) is 2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid is O=C(O)Cc1cc(-c2ccn3ncncc23)ccn1.
What is the InChIKey of 2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid?
The InChIKey is NIAIAOLBHJYKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-13(19)6-10-5-9(1-3-15-10)11-2-4-17-12(11)7-14-8-16-17/h1-5,7-8H,6H2,(H,18,19).
What are the key properties of 2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid?
2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid has a molecular weight of 254.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid is sourced from PubChem (CID 82381527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).