2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid

C14H18N4O4 — CID 50899218

IUPAC2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
SMILESCCCCCc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12
InChIInChI=1S/C14H18N4O4/c1-2-3-4-5-9-6-10(19)12(13-16-8-17-18(9)13)14(22)15-7-11(20)21/h6,8H,2-5,7H2,1H3,(H,15,22)(H,16,17)(H,20,21)
InChIKeyJRPPPJJTEVTFQE-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.57
Rot. Bonds7

About 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid

2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid (PubChem CID 50899218) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
PubChem CID50899218
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
SMILESCCCCCc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12
InChIInChI=1S/C14H18N4O4/c1-2-3-4-5-9-6-10(19)12(13-16-8-17-18(9)13)14(22)15-7-11(20)21/h6,8H,2-5,7H2,1H3,(H,15,22)(H,16,17)(H,20,21)
InChIKeyJRPPPJJTEVTFQE-UHFFFAOYSA-N
XLogP0.57
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
CID 67049671
2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
CID 67049808
2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
CID 67050359
2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
CID 67050367
2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
CID 67049655
2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
CID 58209014
2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
CID 67049656
2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
CID 67049809
2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
CID 67050360
2-[[5-[4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 67621664
2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 67622441
2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 50899216

Frequently Asked Questions

What is the IUPAC name of 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid (CID 50899218) is 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid is CCCCCc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12.
What is the InChIKey of 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?
The InChIKey is JRPPPJJTEVTFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-2-3-4-5-9-6-10(19)12(13-16-8-17-18(9)13)14(22)15-7-11(20)21/h6,8H,2-5,7H2,1H3,(H,15,22)(H,16,17)(H,20,21).
What are the key properties of 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?
2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid has a molecular weight of 306.32 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid is sourced from PubChem (CID 50899218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).