2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide

C13H23N5O — CID 114778694

IUPAC2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide
SMILESCCC1CCC(n2cc(CNC(=O)CN)nn2)CC1
InChIInChI=1S/C13H23N5O/c1-2-10-3-5-12(6-4-10)18-9-11(16-17-18)8-15-13(19)7-14/h9-10,12H,2-8,14H2,1H3,(H,15,19)
InChIKeyFKBRCSIGMNICDI-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.99
Rot. Bonds5

About 2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide (PubChem CID 114778694) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide
PubChem CID114778694
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide
SMILESCCC1CCC(n2cc(CNC(=O)CN)nn2)CC1
InChIInChI=1S/C13H23N5O/c1-2-10-3-5-12(6-4-10)18-9-11(16-17-18)8-15-13(19)7-14/h9-10,12H,2-8,14H2,1H3,(H,15,19)
InChIKeyFKBRCSIGMNICDI-UHFFFAOYSA-N
XLogP0.99
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide
CID 114778318
4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine
CID 113424708
2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide
CID 166430643
2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide
CID 114778703
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 126829428
2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778510
[1-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]triazol-4-yl]methylurea
CID 29254255
2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide
CID 114778173
2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide
CID 114777919
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide (CID 114778694) is 2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide is CCC1CCC(n2cc(CNC(=O)CN)nn2)CC1.
What is the InChIKey of 2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide?
The InChIKey is FKBRCSIGMNICDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-10-3-5-12(6-4-10)18-9-11(16-17-18)8-15-13(19)7-14/h9-10,12H,2-8,14H2,1H3,(H,15,19).
What are the key properties of 2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).