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

C12H14BrN5O — CID 114778147

IUPAC2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(Cc2ccccc2Br)nn1
InChIInChI=1S/C12H14BrN5O/c13-11-4-2-1-3-9(11)7-18-8-10(16-17-18)6-15-12(19)5-14/h1-4,8H,5-7,14H2,(H,15,19)
InChIKeyPTIWQRQHIXAOSW-UHFFFAOYSA-N
MW324.18 g/mol
LogP0.66
Rot. Bonds5

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

2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide (PubChem CID 114778147) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
PubChem CID114778147
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(Cc2ccccc2Br)nn1
InChIInChI=1S/C12H14BrN5O/c13-11-4-2-1-3-9(11)7-18-8-10(16-17-18)6-15-12(19)5-14/h1-4,8H,5-7,14H2,(H,15,19)
InChIKeyPTIWQRQHIXAOSW-UHFFFAOYSA-N
XLogP0.66
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[1-[(2-bromo-3-fluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778514
2-amino-N-[[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778664
tert-butyl N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]carbamate
CID 163349907
bis([1-[(2-bromophenyl)methyl]triazol-4-yl]methanamine);trihydrochloride
CID 163346129
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
2-amino-N-[[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778543
4-[[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 114778729
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
CID 114778652
2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide
CID 114778434
2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
CID 114778162
N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66191718

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide (CID 114778147) is 2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(Cc2ccccc2Br)nn1.
What is the InChIKey of 2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide?
The InChIKey is PTIWQRQHIXAOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c13-11-4-2-1-3-9(11)7-18-8-10(16-17-18)6-15-12(19)5-14/h1-4,8H,5-7,14H2,(H,15,19).
What are the key properties of 2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide has a molecular weight of 324.18 g/mol, XLogP of 0.66, 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-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).