2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid

C10H10N4O3 — CID 70797019

IUPAC2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid
SMILESNc1n[nH]nc1-c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C10H10N4O3/c11-10-9(12-14-13-10)6-1-3-7(4-2-6)17-5-8(15)16/h1-4H,5H2,(H,15,16)(H3,11,12,13,14)
InChIKeyYLWSYUXABTVIAG-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.52
Rot. Bonds4

About 2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid

2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid (PubChem CID 70797019) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid
PubChem CID70797019
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid
SMILESNc1n[nH]nc1-c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C10H10N4O3/c11-10-9(12-14-13-10)6-1-3-7(4-2-6)17-5-8(15)16/h1-4H,5H2,(H,15,16)(H3,11,12,13,14)
InChIKeyYLWSYUXABTVIAG-UHFFFAOYSA-N
XLogP0.52
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-(2H-1,2,3,4-tetrazol-5-yl)phenoxy)acetic acid
CID 822287
[4-(5-Cyano-1h-[1,2,3]triazol-4-yl)phenoxy]acetic acid
CID 57457123
2-[4-(5-amino-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid
CID 70797067
4-[4-(5-amino-2H-triazol-4-yl)phenoxy]butanoic acid
CID 70797068
4-(4-Methoxyphenyl)-1H-1,2,3-triazol-5-amine
CID 85745682
2-[4-[5-(methyliminomethyl)-2H-triazol-4-yl]phenoxy]acetic acid
CID 142911083
4-[4-(5-methanimidoyl-2H-triazol-4-yl)phenoxy]butanoic acid
CID 143165622
ethyl 2-[4-(5-methoxy-2H-triazol-4-yl)phenoxy]acetate
CID 156627002
2-[4-(5-methanimidoyl-2H-triazol-4-yl)phenoxy]acetic acid
CID 163506907
5-[3-(3-methylbut-2-enoxy)phenyl]-2H-triazol-4-amine
CID 170147890
5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine
CID 170147924
5-[3-(2-propan-2-yloxyethoxy)phenyl]-2H-triazol-4-amine
CID 170147987

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid (CID 70797019) is 2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid is Nc1n[nH]nc1-c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid?
The InChIKey is YLWSYUXABTVIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-10-9(12-14-13-10)6-1-3-7(4-2-6)17-5-8(15)16/h1-4H,5H2,(H,15,16)(H3,11,12,13,14).
What are the key properties of 2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid?
2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid has a molecular weight of 234.22 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-2H-triazol-4-yl)phenoxy]acetic acid is sourced from PubChem (CID 70797019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).