(2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide

C12H14FN5O2 — CID 122441026

IUPAC(2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide
SMILESN[C@H](CO)C(=O)Nc1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C12H14FN5O2/c13-9-3-1-8(2-4-9)5-18-6-11(16-17-18)15-12(20)10(14)7-19/h1-4,6,10,19H,5,7,14H2,(H,15,20)/t10-/m1/s1
InChIKeyZZLXHOBNDPANKQ-SNVBAGLBSA-N
MW279.28 g/mol
LogP-0.28
Rot. Bonds5

About (2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide

(2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide (PubChem CID 122441026) has the molecular formula C12H14FN5O2 and a molecular weight of 279.28 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide
PubChem CID122441026
Molecular FormulaC12H14FN5O2
Molecular Weight279.28 g/mol
Exact Mass279.11
IUPAC Name(2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide
SMILESN[C@H](CO)C(=O)Nc1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C12H14FN5O2/c13-9-3-1-8(2-4-9)5-18-6-11(16-17-18)15-12(20)10(14)7-19/h1-4,6,10,19H,5,7,14H2,(H,15,20)/t10-/m1/s1
InChIKeyZZLXHOBNDPANKQ-SNVBAGLBSA-N
XLogP-0.28
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide?
The IUPAC name of (2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide (CID 122441026) is (2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide?
The canonical SMILES for (2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide is N[C@H](CO)C(=O)Nc1cn(Cc2ccc(F)cc2)nn1.
What is the InChIKey of (2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide?
The InChIKey is ZZLXHOBNDPANKQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14FN5O2/c13-9-3-1-8(2-4-9)5-18-6-11(16-17-18)15-12(20)10(14)7-19/h1-4,6,10,19H,5,7,14H2,(H,15,20)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide?
(2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide has a molecular weight of 279.28 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide is sourced from PubChem (CID 122441026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).