1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid

C15H17N3O2 — CID 167794406

IUPAC1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESCn1ncc(-c2ccc(C3(C(=O)O)CCCC3)cc2)n1
InChIInChI=1S/C15H17N3O2/c1-18-16-10-13(17-18)11-4-6-12(7-5-11)15(14(19)20)8-2-3-9-15/h4-7,10H,2-3,8-9H2,1H3,(H,19,20)
InChIKeyGWPFPTFTZFMWTD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.38
Rot. Bonds3

About 1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid

1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 167794406) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID167794406
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESCn1ncc(-c2ccc(C3(C(=O)O)CCCC3)cc2)n1
InChIInChI=1S/C15H17N3O2/c1-18-16-10-13(17-18)11-4-6-12(7-5-11)15(14(19)20)8-2-3-9-15/h4-7,10H,2-3,8-9H2,1H3,(H,19,20)
InChIKeyGWPFPTFTZFMWTD-UHFFFAOYSA-N
XLogP2.38
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid (CID 167794406) is 1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid is Cn1ncc(-c2ccc(C3(C(=O)O)CCCC3)cc2)n1.
What is the InChIKey of 1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is GWPFPTFTZFMWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-16-10-13(17-18)11-4-6-12(7-5-11)15(14(19)20)8-2-3-9-15/h4-7,10H,2-3,8-9H2,1H3,(H,19,20).
What are the key properties of 1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid?
1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 167794406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).