N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide

C8H12N4O — CID 115649346

IUPACN-cyclobutyl-N-methyl-2H-triazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]n1)C1CCC1
InChIInChI=1S/C8H12N4O/c1-12(6-3-2-4-6)8(13)7-5-9-11-10-7/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyIEWIUDXGZAOHAY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.43
Rot. Bonds2

About N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide

N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide (PubChem CID 115649346) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-methyl-2H-triazole-4-carboxamide
PubChem CID115649346
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-cyclobutyl-N-methyl-2H-triazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]n1)C1CCC1
InChIInChI=1S/C8H12N4O/c1-12(6-3-2-4-6)8(13)7-5-9-11-10-7/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyIEWIUDXGZAOHAY-UHFFFAOYSA-N
XLogP0.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide
CID 107172492
N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733346
N-methyl-N-phenyl-2H-triazole-4-carboxamide
CID 78968210
N-(3,5-dimethylphenyl)-N-methyl-2H-triazole-4-carboxamide
CID 47356365
N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide
CID 78968326
N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole
CID 154653071
N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 78991820
N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide
CID 78968249
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469
N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide
CID 112698098
N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide
CID 112733912

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide (CID 115649346) is N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide is CN(C(=O)c1cn[nH]n1)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is IEWIUDXGZAOHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12(6-3-2-4-6)8(13)7-5-9-11-10-7/h5-6H,2-4H2,1H3,(H,9,10,11).
What are the key properties of N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide?
N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 115649346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).