2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid

C10H10N6O4 — CID 115457504

IUPAC2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)c2c[nH]c(=O)cn2)nn1
InChIInChI=1S/C10H10N6O4/c17-8-3-11-7(2-12-8)10(20)13-1-6-4-16(15-14-6)5-9(18)19/h2-4H,1,5H2,(H,12,17)(H,13,20)(H,18,19)
InChIKeyONSOJDILSSLAGW-UHFFFAOYSA-N
MW278.23 g/mol
LogP-1.62
Rot. Bonds5

About 2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115457504) has the molecular formula C10H10N6O4 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID115457504
Molecular FormulaC10H10N6O4
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC Name2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)c2c[nH]c(=O)cn2)nn1
InChIInChI=1S/C10H10N6O4/c17-8-3-11-7(2-12-8)10(20)13-1-6-4-16(15-14-6)5-9(18)19/h2-4H,1,5H2,(H,12,17)(H,13,20)(H,18,19)
InChIKeyONSOJDILSSLAGW-UHFFFAOYSA-N
XLogP-1.62
TPSA142.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457604
2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458096
2-[4-[(1H-pyrrole-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115457672
2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457393
2-[4-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457376
2-[4-[[(3,4-dichlorobenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457375
2-[4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313829
2-[4-[[(5-bromothiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457657
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698597
2-[4-[[(5-bromofuran-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313813
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 43465507
2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458679

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 115457504) is 2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(CNC(=O)c2c[nH]c(=O)cn2)nn1.
What is the InChIKey of 2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is ONSOJDILSSLAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O4/c17-8-3-11-7(2-12-8)10(20)13-1-6-4-16(15-14-6)5-9(18)19/h2-4H,1,5H2,(H,12,17)(H,13,20)(H,18,19).
What are the key properties of 2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 278.23 g/mol, XLogP of -1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115457504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).