2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid

C9H11N7O3 — CID 115457393

IUPAC2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCc1nc(C(=O)NCc2cn(CC(=O)O)nn2)n[nH]1
InChIInChI=1S/C9H11N7O3/c1-5-11-8(14-12-5)9(19)10-2-6-3-16(15-13-6)4-7(17)18/h3H,2,4H2,1H3,(H,10,19)(H,17,18)(H,11,12,14)
InChIKeyFRKZBKIPPARSLU-UHFFFAOYSA-N
MW265.23 g/mol
LogP-1.28
Rot. Bonds5

About 2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115457393) has the molecular formula C9H11N7O3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID115457393
Molecular FormulaC9H11N7O3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCc1nc(C(=O)NCc2cn(CC(=O)O)nn2)n[nH]1
InChIInChI=1S/C9H11N7O3/c1-5-11-8(14-12-5)9(19)10-2-6-3-16(15-13-6)4-7(17)18/h3H,2,4H2,1H3,(H,10,19)(H,17,18)(H,11,12,14)
InChIKeyFRKZBKIPPARSLU-UHFFFAOYSA-N
XLogP-1.28
TPSA138.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-1.28
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
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2-[4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
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2-[4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
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2-[4-[(1H-pyrrole-2-carbonylamino)methyl]triazol-1-yl]acetic acid
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2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
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2-[4-[[(3-bromo-5-methylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 104850882
2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
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2-[4-[[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
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2-[4-[[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698090
2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698479
2-[4-[[(5-bromothiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457657
2-[4-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457376

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 115457393) is 2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid is Cc1nc(C(=O)NCc2cn(CC(=O)O)nn2)n[nH]1.
What is the InChIKey of 2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is FRKZBKIPPARSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O3/c1-5-11-8(14-12-5)9(19)10-2-6-3-16(15-13-6)4-7(17)18/h3H,2,4H2,1H3,(H,10,19)(H,17,18)(H,11,12,14).
What are the key properties of 2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 265.23 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115457393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).