2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid

C11H17N3O2 — CID 81007785

IUPAC2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCCCn1ncnc1CC1CCC1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-2-5-14-10(12-7-13-14)6-8-3-4-9(8)11(15)16/h7-9H,2-6H2,1H3,(H,15,16)
InChIKeySSBZZKPLDCBHCX-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.34
Rot. Bonds5

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

2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 81007785) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID81007785
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCCCn1ncnc1CC1CCC1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-2-5-14-10(12-7-13-14)6-8-3-4-9(8)11(15)16/h7-9H,2-6H2,1H3,(H,15,16)
InChIKeySSBZZKPLDCBHCX-UHFFFAOYSA-N
XLogP1.34
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid (CID 81007785) is 2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid is CCCn1ncnc1CC1CCC1C(=O)O.
What is the InChIKey of 2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is SSBZZKPLDCBHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-5-14-10(12-7-13-14)6-8-3-4-9(8)11(15)16/h7-9H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid?
2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81007785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).