N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide

C8H10N4O — CID 130649624

IUPACN-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide
SMILESCn1cc(NC(=O)C2=CCC2)nn1
InChIInChI=1S/C8H10N4O/c1-12-5-7(10-11-12)9-8(13)6-3-2-4-6/h3,5H,2,4H2,1H3,(H,9,13)
InChIKeyRUEMRIBOAUNHCA-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.47
Rot. Bonds2

About N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide

N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide (PubChem CID 130649624) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide
PubChem CID130649624
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC NameN-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide
SMILESCn1cc(NC(=O)C2=CCC2)nn1
InChIInChI=1S/C8H10N4O/c1-12-5-7(10-11-12)9-8(13)6-3-2-4-6/h3,5H,2,4H2,1H3,(H,9,13)
InChIKeyRUEMRIBOAUNHCA-UHFFFAOYSA-N
XLogP0.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide 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 N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide?
The IUPAC name of N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide (CID 130649624) is N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide.
What is the SMILES notation for N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide?
The canonical SMILES for N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide is Cn1cc(NC(=O)C2=CCC2)nn1.
What is the InChIKey of N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide?
The InChIKey is RUEMRIBOAUNHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-12-5-7(10-11-12)9-8(13)6-3-2-4-6/h3,5H,2,4H2,1H3,(H,9,13).
What are the key properties of N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide?
N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide is sourced from PubChem (CID 130649624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).