2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid

C14H15N3O2 — CID 43671486

IUPAC2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cnnn1-c1cccc2c1CCCC2
InChIInChI=1S/C14H15N3O2/c18-14(19)8-11-9-15-16-17(11)13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,9H,1-2,4,6,8H2,(H,18,19)
InChIKeyOFLQVCZSXKGHLG-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.77
Rot. Bonds3

About 2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid

2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid (PubChem CID 43671486) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid
PubChem CID43671486
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cnnn1-c1cccc2c1CCCC2
InChIInChI=1S/C14H15N3O2/c18-14(19)8-11-9-15-16-17(11)13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,9H,1-2,4,6,8H2,(H,18,19)
InChIKeyOFLQVCZSXKGHLG-UHFFFAOYSA-N
XLogP1.77
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid (CID 43671486) is 2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid is O=C(O)Cc1cnnn1-c1cccc2c1CCCC2.
What is the InChIKey of 2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid?
The InChIKey is OFLQVCZSXKGHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)8-11-9-15-16-17(11)13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,9H,1-2,4,6,8H2,(H,18,19).
What are the key properties of 2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid?
2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid is sourced from PubChem (CID 43671486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).