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

C12H15ClN4O4 — CID 67050359

IUPAC2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
SMILESCCCc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12.Cl
InChIInChI=1S/C12H14N4O4.ClH/c1-2-3-7-4-8(17)10(11-14-6-15-16(7)11)12(20)13-5-9(18)19;/h4,6H,2-3,5H2,1H3,(H,13,20)(H,14,15)(H,18,19);1H
InChIKeySIJBEZQGRCQURL-UHFFFAOYSA-N
MW314.73 g/mol
LogP0.21
Rot. Bonds5

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

2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride (PubChem CID 67050359) has the molecular formula C12H15ClN4O4 and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
PubChem CID67050359
Molecular FormulaC12H15ClN4O4
Molecular Weight314.73 g/mol
Exact Mass314.08
IUPAC Name2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
SMILESCCCc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12.Cl
InChIInChI=1S/C12H14N4O4.ClH/c1-2-3-7-4-8(17)10(11-14-6-15-16(7)11)12(20)13-5-9(18)19;/h4,6H,2-3,5H2,1H3,(H,13,20)(H,14,15)(H,18,19);1H
InChIKeySIJBEZQGRCQURL-UHFFFAOYSA-N
XLogP0.21
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride (CID 67050359) is 2-[(7-oxo-5-propyl-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-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride is CCCc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12.Cl.
What is the InChIKey of 2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride?
The InChIKey is SIJBEZQGRCQURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4.ClH/c1-2-3-7-4-8(17)10(11-14-6-15-16(7)11)12(20)13-5-9(18)19;/h4,6H,2-3,5H2,1H3,(H,13,20)(H,14,15)(H,18,19);1H.
What are the key properties of 2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride?
2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride has a molecular weight of 314.73 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 67050359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).