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

C14H19ClN4O4 — CID 67050367

IUPAC2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
SMILESCCCCCc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12.Cl
InChIInChI=1S/C14H18N4O4.ClH/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);1H
InChIKeyUUNIOYDGVOWZLI-UHFFFAOYSA-N
MW342.78 g/mol
LogP0.99
Rot. Bonds7

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

2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride (PubChem CID 67050367) has the molecular formula C14H19ClN4O4 and a molecular weight of 342.78 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;hydrochloride.

Molecular Properties

Compound Name2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
PubChem CID67050367
Molecular FormulaC14H19ClN4O4
Molecular Weight342.78 g/mol
Exact Mass342.11
IUPAC Name2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
SMILESCCCCCc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12.Cl
InChIInChI=1S/C14H18N4O4.ClH/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);1H
InChIKeyUUNIOYDGVOWZLI-UHFFFAOYSA-N
XLogP0.99
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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;hydrochloride?
The IUPAC name of 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride (CID 67050367) is 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride.
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;hydrochloride?
The canonical SMILES for 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride is CCCCCc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12.Cl.
What is the InChIKey of 2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride?
The InChIKey is UUNIOYDGVOWZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4.ClH/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);1H.
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;hydrochloride?
2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride has a molecular weight of 342.78 g/mol, XLogP of 0.99, 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;hydrochloride is sourced from PubChem (CID 67050367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).