2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid

C10H15N5O4 — CID 79463960

IUPAC2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C10H15N5O4/c16-9(17)6-19-4-1-11-10(18)14-2-3-15-7-12-13-8(15)5-14/h7H,1-6H2,(H,11,18)(H,16,17)
InChIKeyJHPAPSGBCXYDCP-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.10
Rot. Bonds5

About 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid

2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid (PubChem CID 79463960) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid
PubChem CID79463960
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C10H15N5O4/c16-9(17)6-19-4-1-11-10(18)14-2-3-15-7-12-13-8(15)5-14/h7H,1-6H2,(H,11,18)(H,16,17)
InChIKeyJHPAPSGBCXYDCP-UHFFFAOYSA-N
XLogP-1.10
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid
CID 64575394
N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 115622101
(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid
CID 107840210
2-(2-aminoethoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 79478280
2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid
CID 106315939
2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79464466
2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)ethoxy]acetic acid
CID 79463816
N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 146088565
(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)propanoic acid
CID 64575080
2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonylamino)ethoxy]acetic acid
CID 79463216
2-[2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79464404
(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
CID 64576614

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid (CID 79463960) is 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)N1CCn2cnnc2C1.
What is the InChIKey of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid?
The InChIKey is JHPAPSGBCXYDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c16-9(17)6-19-4-1-11-10(18)14-2-3-15-7-12-13-8(15)5-14/h7H,1-6H2,(H,11,18)(H,16,17).
What are the key properties of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid?
2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid has a molecular weight of 269.26 g/mol, XLogP of -1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)ethoxy]acetic acid is sourced from PubChem (CID 79463960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).