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

C10H15N3O2 — CID 130591907

IUPAC1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCn1ncc(CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C10H15N3O2/c1-13-11-7-8(12-13)6-10(9(14)15)4-2-3-5-10/h7H,2-6H2,1H3,(H,14,15)
InChIKeyKLZMBEZHSDHBOB-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.00
Rot. Bonds3

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

1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 130591907) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID130591907
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCn1ncc(CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C10H15N3O2/c1-13-11-7-8(12-13)6-10(9(14)15)4-2-3-5-10/h7H,2-6H2,1H3,(H,14,15)
InChIKeyKLZMBEZHSDHBOB-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid (CID 130591907) is 1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid is Cn1ncc(CC2(C(=O)O)CCCC2)n1.
What is the InChIKey of 1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is KLZMBEZHSDHBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-11-7-8(12-13)6-10(9(14)15)4-2-3-5-10/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 130591907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).