N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide

C9H16N4O — CID 115749130

IUPACN-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCC(CC)CNC(=O)c1ncn[nH]1
InChIInChI=1S/C9H16N4O/c1-3-7(4-2)5-10-9(14)8-11-6-12-13-8/h6-7H,3-5H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyQMRWNZYYAITHPO-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.97
Rot. Bonds5

About N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide

N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 115749130) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID115749130
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCC(CC)CNC(=O)c1ncn[nH]1
InChIInChI=1S/C9H16N4O/c1-3-7(4-2)5-10-9(14)8-11-6-12-13-8/h6-7H,3-5H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyQMRWNZYYAITHPO-UHFFFAOYSA-N
XLogP0.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylbutyl)-1H-1,2,4-triazole-5-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-[(2R)-2-ethylhexyl]-1H-1,2,4-triazole-5-carboxamide
CID 2174349
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115301074
N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103822634
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-(3,3-dimethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749109
N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65193517
2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 63654157
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283707
N-[(E)-pent-3-enyl]-1H-1,2,4-triazole-5-carboxamide
CID 115749138

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide (CID 115749130) is N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide is CCC(CC)CNC(=O)c1ncn[nH]1.
What is the InChIKey of N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is QMRWNZYYAITHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-7(4-2)5-10-9(14)8-11-6-12-13-8/h6-7H,3-5H2,1-2H3,(H,10,14)(H,11,12,13).
What are the key properties of N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 115749130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).