N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide

C12H21N5O — CID 105420046

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC2(N(C)C)CCC2)n[nH]1
InChIInChI=1S/C12H21N5O/c1-4-9-14-10(16-15-9)11(18)13-8-12(17(2)3)6-5-7-12/h4-8H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyZDZMUODDGZJZEI-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.58
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 105420046) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID105420046
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC2(N(C)C)CCC2)n[nH]1
InChIInChI=1S/C12H21N5O/c1-4-9-14-10(16-15-9)11(18)13-8-12(17(2)3)6-5-7-12/h4-8H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyZDZMUODDGZJZEI-UHFFFAOYSA-N
XLogP0.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114095110
5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 81131094
N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide
CID 105420051
5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 114793921
N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 115303347
5-ethyl-N-(4-hydroxybutyl)-1H-1,2,4-triazole-3-carboxamide
CID 106844104
N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114137118
5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319568
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-4-carboxamide
CID 105420310
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106137470
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(ethylamino)pyridine-2-carboxamide
CID 105420344
5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107155420

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide (CID 105420046) is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCC2(N(C)C)CCC2)n[nH]1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is ZDZMUODDGZJZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-9-14-10(16-15-9)11(18)13-8-12(17(2)3)6-5-7-12/h4-8H2,1-3H3,(H,13,18)(H,14,15,16).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 105420046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).