N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide

C10H17N5O — CID 105420051

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn[nH]n2)CCC1
InChIInChI=1S/C10H17N5O/c1-15(2)10(4-3-5-10)7-11-9(16)8-6-12-14-13-8/h6H,3-5,7H2,1-2H3,(H,11,16)(H,12,13,14)
InChIKeyHVSCYLSKEMGVMR-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.02
Rot. Bonds4

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

N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide (PubChem CID 105420051) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide
PubChem CID105420051
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn[nH]n2)CCC1
InChIInChI=1S/C10H17N5O/c1-15(2)10(4-3-5-10)7-11-9(16)8-6-12-14-13-8/h6H,3-5,7H2,1-2H3,(H,11,16)(H,12,13,14)
InChIKeyHVSCYLSKEMGVMR-UHFFFAOYSA-N
XLogP0.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide
CID 78968404
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide
CID 113364724
N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide
CID 110475489
N-propyl-2H-triazole-4-carboxamide
CID 54219715
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 83107440
N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 47108596
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 105420046
N-[[1-(dimethylamino)cyclohexyl]methyl]pyridine-2-carboxamide
CID 4787654
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 105419929
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(ethylamino)pyridine-2-carboxamide
CID 105420344
1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide
CID 105417102
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 105419989

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide (CID 105420051) is N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide is CN(C)C1(CNC(=O)c2cn[nH]n2)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide?
The InChIKey is HVSCYLSKEMGVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15(2)10(4-3-5-10)7-11-9(16)8-6-12-14-13-8/h6H,3-5,7H2,1-2H3,(H,11,16)(H,12,13,14).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.02, 4 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]-2H-triazole-4-carboxamide is sourced from PubChem (CID 105420051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).