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

C12H16N6O — CID 114778652

IUPAC2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CCc2ccccn2)nn1
InChIInChI=1S/C12H16N6O/c13-7-12(19)15-8-11-9-18(17-16-11)6-4-10-3-1-2-5-14-10/h1-3,5,9H,4,6-8,13H2,(H,15,19)
InChIKeyIPXCGOXBFJTZGE-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.51
Rot. Bonds6

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

2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide (PubChem CID 114778652) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
PubChem CID114778652
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CCc2ccccn2)nn1
InChIInChI=1S/C12H16N6O/c13-7-12(19)15-8-11-9-18(17-16-11)6-4-10-3-1-2-5-14-10/h1-3,5,9H,4,6-8,13H2,(H,15,19)
InChIKeyIPXCGOXBFJTZGE-UHFFFAOYSA-N
XLogP-0.51
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
CID 114778162
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-amino-N-[[1-[2-(4-bromophenoxy)ethyl]triazol-4-yl]methyl]acetamide
CID 114778611
2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778147
2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide
CID 114778434
5-[1-(2-pyridin-2-ylethyl)triazol-4-yl]pentanoic acid
CID 104538704
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
2-amino-N-[[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778664
2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide
CID 114778822
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol
CID 167904939

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide (CID 114778652) is 2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(CCc2ccccn2)nn1.
What is the InChIKey of 2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide?
The InChIKey is IPXCGOXBFJTZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c13-7-12(19)15-8-11-9-18(17-16-11)6-4-10-3-1-2-5-14-10/h1-3,5,9H,4,6-8,13H2,(H,15,19).
What are the key properties of 2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide has a molecular weight of 260.30 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).