2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid

C15H10N4O3 — CID 59122900

IUPAC2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid
SMILESN#Cc1n[nH]nc1-c1ccc(OCC(=O)O)c2ccccc12
InChIInChI=1S/C15H10N4O3/c16-7-12-15(18-19-17-12)11-5-6-13(22-8-14(20)21)10-4-2-1-3-9(10)11/h1-6H,8H2,(H,20,21)(H,17,18,19)
InChIKeyFCUSTXMMRPLNEU-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.96
Rot. Bonds4

About 2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid

2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid (PubChem CID 59122900) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid
PubChem CID59122900
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid
SMILESN#Cc1n[nH]nc1-c1ccc(OCC(=O)O)c2ccccc12
InChIInChI=1S/C15H10N4O3/c16-7-12-15(18-19-17-12)11-5-6-13(22-8-14(20)21)10-4-2-1-3-9(10)11/h1-6H,8H2,(H,20,21)(H,17,18,19)
InChIKeyFCUSTXMMRPLNEU-UHFFFAOYSA-N
XLogP1.96
TPSA111.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid (CID 59122900) is 2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid is N#Cc1n[nH]nc1-c1ccc(OCC(=O)O)c2ccccc12.
What is the InChIKey of 2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid?
The InChIKey is FCUSTXMMRPLNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3/c16-7-12-15(18-19-17-12)11-5-6-13(22-8-14(20)21)10-4-2-1-3-9(10)11/h1-6H,8H2,(H,20,21)(H,17,18,19).
What are the key properties of 2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid?
2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid has a molecular weight of 294.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyano-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 59122900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).