(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide

C13H15F2N5O2 — CID 122441064

IUPAC(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide
SMILESCOC[C@@H](N)C(=O)Nc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C13H15F2N5O2/c1-22-7-11(16)13(21)17-12-6-20(19-18-12)5-8-9(14)3-2-4-10(8)15/h2-4,6,11H,5,7,16H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyMWJUGFJHNNOBOI-LLVKDONJSA-N
MW311.29 g/mol
LogP0.52
Rot. Bonds6

About (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide

(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide (PubChem CID 122441064) has the molecular formula C13H15F2N5O2 and a molecular weight of 311.29 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide
PubChem CID122441064
Molecular FormulaC13H15F2N5O2
Molecular Weight311.29 g/mol
Exact Mass311.12
IUPAC Name(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide
SMILESCOC[C@@H](N)C(=O)Nc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C13H15F2N5O2/c1-22-7-11(16)13(21)17-12-6-20(19-18-12)5-8-9(14)3-2-4-10(8)15/h2-4,6,11H,5,7,16H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyMWJUGFJHNNOBOI-LLVKDONJSA-N
XLogP0.52
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine
CID 54446474
(2S)-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 122441072
2-(4-acetamidotriazol-1-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 112522503
1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-(pyridin-4-ylmethyl)urea
CID 122441055
N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide
CID 122441030
2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide
CID 81083554
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine
CID 114933213
2-amino-N-(2-cyano-3-fluorophenyl)-3-methoxypropanamide
CID 81081464
2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
CID 81083334
methyl (2S)-2-[[1-[(2,6-difluorophenyl)methyl]triazole-4-carbonyl]amino]-3-phenylpropanoate
CID 42557640
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide
CID 107594933

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide (CID 122441064) is (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide is COC[C@@H](N)C(=O)Nc1cn(Cc2c(F)cccc2F)nn1.
What is the InChIKey of (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide?
The InChIKey is MWJUGFJHNNOBOI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15F2N5O2/c1-22-7-11(16)13(21)17-12-6-20(19-18-12)5-8-9(14)3-2-4-10(8)15/h2-4,6,11H,5,7,16H2,1H3,(H,17,21)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide?
(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide has a molecular weight of 311.29 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 122441064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).