2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid

C10H15N3O2 — CID 61362595

IUPAC2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid
SMILESCc1nnc(CC(=O)O)n1C1CCCC1
InChIInChI=1S/C10H15N3O2/c1-7-11-12-9(6-10(14)15)13(7)8-4-2-3-5-8/h8H,2-6H2,1H3,(H,14,15)
InChIKeyIJLAEVLIIYURRI-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.33
Rot. Bonds3

About 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid

2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid (PubChem CID 61362595) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid
PubChem CID61362595
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid
SMILESCc1nnc(CC(=O)O)n1C1CCCC1
InChIInChI=1S/C10H15N3O2/c1-7-11-12-9(6-10(14)15)13(7)8-4-2-3-5-8/h8H,2-6H2,1H3,(H,14,15)
InChIKeyIJLAEVLIIYURRI-UHFFFAOYSA-N
XLogP1.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid?
The IUPAC name of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid (CID 61362595) is 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid?
The canonical SMILES for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid is Cc1nnc(CC(=O)O)n1C1CCCC1.
What is the InChIKey of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid?
The InChIKey is IJLAEVLIIYURRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-11-12-9(6-10(14)15)13(7)8-4-2-3-5-8/h8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid?
2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid has a molecular weight of 209.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid is sourced from PubChem (CID 61362595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).