2-(1-phenyltriazol-4-yl)acetic acid

C10H9N3O2 — CID 83638124

IUPAC2-(1-phenyltriazol-4-yl)acetic acid
SMILESO=C(O)Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C10H9N3O2/c14-10(15)6-8-7-13(12-11-8)9-4-2-1-3-5-9/h1-5,7H,6H2,(H,14,15)
InChIKeyYNXXKEVPNZACPS-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.89
Rot. Bonds3

About 2-(1-phenyltriazol-4-yl)acetic acid

2-(1-phenyltriazol-4-yl)acetic acid (PubChem CID 83638124) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(1-phenyltriazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-phenyltriazol-4-yl)acetic acid
PubChem CID83638124
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-(1-phenyltriazol-4-yl)acetic acid
SMILESO=C(O)Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C10H9N3O2/c14-10(15)6-8-7-13(12-11-8)9-4-2-1-3-5-9/h1-5,7H,6H2,(H,14,15)
InChIKeyYNXXKEVPNZACPS-UHFFFAOYSA-N
XLogP0.89
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltriazol-4-yl)acetic acid?
The IUPAC name of 2-(1-phenyltriazol-4-yl)acetic acid (CID 83638124) is 2-(1-phenyltriazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-phenyltriazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-phenyltriazol-4-yl)acetic acid is O=C(O)Cc1cn(-c2ccccc2)nn1.
What is the InChIKey of 2-(1-phenyltriazol-4-yl)acetic acid?
The InChIKey is YNXXKEVPNZACPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-10(15)6-8-7-13(12-11-8)9-4-2-1-3-5-9/h1-5,7H,6H2,(H,14,15).
What are the key properties of 2-(1-phenyltriazol-4-yl)acetic acid?
2-(1-phenyltriazol-4-yl)acetic acid has a molecular weight of 203.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltriazol-4-yl)acetic acid is sourced from PubChem (CID 83638124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).