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

C10H14N4O3 — CID 55037701

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCn1cnnc1CNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C10H14N4O3/c1-14-6-12-13-7(14)5-11-8(15)10(9(16)17)3-2-4-10/h6H,2-5H2,1H3,(H,11,15)(H,16,17)
InChIKeyLEQRPTRGYVHVHB-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.31
Rot. Bonds4

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

1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 55037701) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID55037701
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCn1cnnc1CNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C10H14N4O3/c1-14-6-12-13-7(14)5-11-8(15)10(9(16)17)3-2-4-10/h6H,2-5H2,1H3,(H,11,15)(H,16,17)
InChIKeyLEQRPTRGYVHVHB-UHFFFAOYSA-N
XLogP-0.31
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]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 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 55037701) is 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid is Cn1cnnc1CNC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is LEQRPTRGYVHVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-14-6-12-13-7(14)5-11-8(15)10(9(16)17)3-2-4-10/h6H,2-5H2,1H3,(H,11,15)(H,16,17).
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 55037701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).