2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid

C17H18N4O4 — CID 164512666

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IUPAC2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C2N=CNN2C(CCc2ccccc2)C=C1O
InChIInChI=1S/C17H18N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,12,22H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)
InChIKeyDQTXKMATEZTTTQ-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.70
Rot. Bonds6

About 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid

2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid (PubChem CID 164512666) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
PubChem CID164512666
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C2N=CNN2C(CCc2ccccc2)C=C1O
InChIInChI=1S/C17H18N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,12,22H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)
InChIKeyDQTXKMATEZTTTQ-UHFFFAOYSA-N
XLogP0.70
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid with MolForge

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Related Compounds

Jtz-951
CID 50899324
JTZ-951 hydrochloride
CID 67049587
2-[[5-[2-(4-fluorophenyl)ethyl]-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride
CID 67050409
2-[[5-[2-(4-fluorophenyl)ethyl]-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 67050410
2-[[5-[(4-fluorophenyl)methyl]-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 68392548
(2S)-2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]propanoic acid;hydrochloride
CID 67049863
(2S)-2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]propanoic acid
CID 67049864
(2R)-2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]propanoic acid;hydrochloride
CID 67049903
(2R)-2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]propanoic acid
CID 67049904
2-[[7-oxo-5-(3-phenylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 67050158
CID 139529604
CID 139529604
2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 169087898

Frequently Asked Questions

What is the IUPAC name of 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid (CID 164512666) is 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1=C2N=CNN2C(CCc2ccccc2)C=C1O.
What is the InChIKey of 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The InChIKey is DQTXKMATEZTTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,12,22H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24).
What are the key properties of 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid has a molecular weight of 342.36 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid is sourced from PubChem (CID 164512666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).