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

C11H11N5O4 — CID 63746198

IUPAC2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid
SMILESNc1n[nH]c(C(=O)Nc2ccccc2OCC(=O)O)n1
InChIInChI=1S/C11H11N5O4/c12-11-14-9(15-16-11)10(19)13-6-3-1-2-4-7(6)20-5-8(17)18/h1-4H,5H2,(H,13,19)(H,17,18)(H3,12,14,15,16)
InChIKeyBUBSYBVNCQCYTK-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.10
Rot. Bonds5

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

2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid (PubChem CID 63746198) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid
PubChem CID63746198
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid
SMILESNc1n[nH]c(C(=O)Nc2ccccc2OCC(=O)O)n1
InChIInChI=1S/C11H11N5O4/c12-11-14-9(15-16-11)10(19)13-6-3-1-2-4-7(6)20-5-8(17)18/h1-4H,5H2,(H,13,19)(H,17,18)(H3,12,14,15,16)
InChIKeyBUBSYBVNCQCYTK-UHFFFAOYSA-N
XLogP0.10
TPSA143.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807691
2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63746700
3-amino-N-[2-(difluoromethylsulfanyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806098
2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
CID 22554
2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
CID 63745017
2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 63746870
2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid
CID 134433696
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 63747208
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid
CID 62792673
3-amino-N-(3-bromoquinolin-8-yl)-1H-1,2,4-triazole-5-carboxamide
CID 116784345
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-iodobenzoic acid
CID 63111547
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid (CID 63746198) is 2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid is Nc1n[nH]c(C(=O)Nc2ccccc2OCC(=O)O)n1.
What is the InChIKey of 2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is BUBSYBVNCQCYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c12-11-14-9(15-16-11)10(19)13-6-3-1-2-4-7(6)20-5-8(17)18/h1-4H,5H2,(H,13,19)(H,17,18)(H3,12,14,15,16).
What are the key properties of 2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid?
2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 277.24 g/mol, XLogP of 0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 63746198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).