N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide

C11H16N6O — CID 131918177

IUPACN-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)c1n[nH]nc1C
InChIInChI=1S/C11H16N6O/c1-3-9(6-17-5-4-12-7-17)13-11(18)10-8(2)14-16-15-10/h4-5,7,9H,3,6H2,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyZZGCDRGXFOQEGT-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.52
Rot. Bonds5

About N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide

N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide (PubChem CID 131918177) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
PubChem CID131918177
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)c1n[nH]nc1C
InChIInChI=1S/C11H16N6O/c1-3-9(6-17-5-4-12-7-17)13-11(18)10-8(2)14-16-15-10/h4-5,7,9H,3,6H2,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyZZGCDRGXFOQEGT-UHFFFAOYSA-N
XLogP0.52
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-imidazol-1-ylbutan-2-yl)-5-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-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 56707272
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 95556331
2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide
CID 99984955
N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide
CID 126446563
2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
CID 91778772
N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide
CID 56744427
1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea
CID 97284208
1-imidazol-1-yl-N-methylbutan-2-amine
CID 62039095
1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
1-(1-imidazol-1-ylbutan-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;2,2,2-trifluoroacetic acid
CID 154887743
7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide
CID 96573373

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide (CID 131918177) is N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide is CCC(Cn1ccnc1)NC(=O)c1n[nH]nc1C.
What is the InChIKey of N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is ZZGCDRGXFOQEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-9(6-17-5-4-12-7-17)13-11(18)10-8(2)14-16-15-10/h4-5,7,9H,3,6H2,1-2H3,(H,13,18)(H,14,15,16).
What are the key properties of N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide?
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 131918177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).