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

C14H17ClN4O4 — CID 67049534

IUPAC2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNC(=O)c1c(=O)cc(CC2CCC2)n2[nH]cnc12
InChIInChI=1S/C14H16N4O4.ClH/c19-10-5-9(4-8-2-1-3-8)18-13(16-7-17-18)12(10)14(22)15-6-11(20)21;/h5,7-8H,1-4,6H2,(H,15,22)(H,16,17)(H,20,21);1H
InChIKeyGMXWZALNVGACLA-UHFFFAOYSA-N
MW340.77 g/mol
LogP0.60
Rot. Bonds5

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

2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride (PubChem CID 67049534) has the molecular formula C14H17ClN4O4 and a molecular weight of 340.77 g/mol. Its IUPAC name is 2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride
PubChem CID67049534
Molecular FormulaC14H17ClN4O4
Molecular Weight340.77 g/mol
Exact Mass340.09
IUPAC Name2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNC(=O)c1c(=O)cc(CC2CCC2)n2[nH]cnc12
InChIInChI=1S/C14H16N4O4.ClH/c19-10-5-9(4-8-2-1-3-8)18-13(16-7-17-18)12(10)14(22)15-6-11(20)21;/h5,7-8H,1-4,6H2,(H,15,22)(H,16,17)(H,20,21);1H
InChIKeyGMXWZALNVGACLA-UHFFFAOYSA-N
XLogP0.60
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride?
The IUPAC name of 2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride (CID 67049534) is 2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride is Cl.O=C(O)CNC(=O)c1c(=O)cc(CC2CCC2)n2[nH]cnc12.
What is the InChIKey of 2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride?
The InChIKey is GMXWZALNVGACLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4.ClH/c19-10-5-9(4-8-2-1-3-8)18-13(16-7-17-18)12(10)14(22)15-6-11(20)21;/h5,7-8H,1-4,6H2,(H,15,22)(H,16,17)(H,20,21);1H.
What are the key properties of 2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride?
2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride has a molecular weight of 340.77 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride is sourced from PubChem (CID 67049534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).