1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide

C13H23N5O2 — CID 103966689

IUPAC1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide
SMILESNCCn1cc(C(=O)NCC2(CO)CCCCC2)nn1
InChIInChI=1S/C13H23N5O2/c14-6-7-18-8-11(16-17-18)12(20)15-9-13(10-19)4-2-1-3-5-13/h8,19H,1-7,9-10,14H2,(H,15,20)
InChIKeyNCFMVEUNVKUCIQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.09
Rot. Bonds6

About 1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide

1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide (PubChem CID 103966689) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide
PubChem CID103966689
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide
SMILESNCCn1cc(C(=O)NCC2(CO)CCCCC2)nn1
InChIInChI=1S/C13H23N5O2/c14-6-7-18-8-11(16-17-18)12(20)15-9-13(10-19)4-2-1-3-5-13/h8,19H,1-7,9-10,14H2,(H,15,20)
InChIKeyNCFMVEUNVKUCIQ-UHFFFAOYSA-N
XLogP-0.09
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312267
1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide
CID 105417102
1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide
CID 66004025
1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide
CID 83235479
1-(2-aminoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)triazole-4-carboxamide
CID 70769257
4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide
CID 103965202
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 112699813
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452
1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide
CID 42348988
1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid
CID 114126015
1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide
CID 106337535
1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide
CID 82873730

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide (CID 103966689) is 1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide is NCCn1cc(C(=O)NCC2(CO)CCCCC2)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide?
The InChIKey is NCFMVEUNVKUCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c14-6-7-18-8-11(16-17-18)12(20)15-9-13(10-19)4-2-1-3-5-13/h8,19H,1-7,9-10,14H2,(H,15,20).
What are the key properties of 1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 103966689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).