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

C12H22N6O — CID 105417102

IUPAC1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn(CCN)nn2)CCC1
InChIInChI=1S/C12H22N6O/c1-17(2)12(4-3-5-12)9-14-11(19)10-8-18(7-6-13)16-15-10/h8H,3-7,9,13H2,1-2H3,(H,14,19)
InChIKeyDKMFTXZMOCFBTJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.55
Rot. Bonds6

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

1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide (PubChem CID 105417102) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide
PubChem CID105417102
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn(CCN)nn2)CCC1
InChIInChI=1S/C12H22N6O/c1-17(2)12(4-3-5-12)9-14-11(19)10-8-18(7-6-13)16-15-10/h8H,3-7,9,13H2,1-2H3,(H,14,19)
InChIKeyDKMFTXZMOCFBTJ-UHFFFAOYSA-N
XLogP-0.55
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide
CID 103966689
1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312267
1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide
CID 42348988
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 42213389
1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide
CID 106337535
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119830076
1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide
CID 66004025
4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide
CID 105413288
1-(2-aminoethyl)-N-but-3-yn-2-yltriazole-4-carboxamide
CID 114417029
3-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 105415204
N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide
CID 105420051
1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide
CID 83235479

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide (CID 105417102) is 1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide is CN(C)C1(CNC(=O)c2cn(CCN)nn2)CCC1.
What is the InChIKey of 1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide?
The InChIKey is DKMFTXZMOCFBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-17(2)12(4-3-5-12)9-14-11(19)10-8-18(7-6-13)16-15-10/h8H,3-7,9,13H2,1-2H3,(H,14,19).
What are the key properties of 1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide has a molecular weight of 266.35 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 105417102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).