2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid

C13H21N3O2 — CID 55108277

IUPAC2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
SMILESCCCn1cnnc1CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H21N3O2/c1-2-7-16-10-14-15-11(16)8-13(9-12(17)18)5-3-4-6-13/h10H,2-9H2,1H3,(H,17,18)
InChIKeyUQGFIAKLYUDKDS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.27
Rot. Bonds6

About 2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid

2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid (PubChem CID 55108277) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
PubChem CID55108277
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
SMILESCCCn1cnnc1CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H21N3O2/c1-2-7-16-10-14-15-11(16)8-13(9-12(17)18)5-3-4-6-13/h10H,2-9H2,1H3,(H,17,18)
InChIKeyUQGFIAKLYUDKDS-UHFFFAOYSA-N
XLogP2.27
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid (CID 55108277) is 2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid is CCCn1cnnc1CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is UQGFIAKLYUDKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-7-16-10-14-15-11(16)8-13(9-12(17)18)5-3-4-6-13/h10H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 55108277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).