2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid

C11H12N6O3 — CID 115458096

IUPAC2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESNc1ccc(C(=O)NCc2cn(CC(=O)O)nn2)nc1
InChIInChI=1S/C11H12N6O3/c12-7-1-2-9(13-3-7)11(20)14-4-8-5-17(16-15-8)6-10(18)19/h1-3,5H,4,6,12H2,(H,14,20)(H,18,19)
InChIKeyQIYUXGYCLUYOLQ-UHFFFAOYSA-N
MW276.26 g/mol
LogP-0.73
Rot. Bonds5

About 2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115458096) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID115458096
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESNc1ccc(C(=O)NCc2cn(CC(=O)O)nn2)nc1
InChIInChI=1S/C11H12N6O3/c12-7-1-2-9(13-3-7)11(20)14-4-8-5-17(16-15-8)6-10(18)19/h1-3,5H,4,6,12H2,(H,14,20)(H,18,19)
InChIKeyQIYUXGYCLUYOLQ-UHFFFAOYSA-N
XLogP-0.73
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-0.73
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-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457504
2-[4-[[(4-amino-3-chlorobenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458112
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-[[(3-amino-4-bromobenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 107813286
2-[4-[(1H-pyrrole-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115457672
2-[4-[[(5-bromothiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457657
2-[4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313829
2-[4-[[(5-bromofuran-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313813
2-[4-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457385
2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458123

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 115458096) is 2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid is Nc1ccc(C(=O)NCc2cn(CC(=O)O)nn2)nc1.
What is the InChIKey of 2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is QIYUXGYCLUYOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c12-7-1-2-9(13-3-7)11(20)14-4-8-5-17(16-15-8)6-10(18)19/h1-3,5H,4,6,12H2,(H,14,20)(H,18,19).
What are the key properties of 2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 276.26 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).