N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide

C14H12FN5O2 — CID 44895026

IUPACN-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
SMILESO=C(Cn1nc2ncccn2c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H12FN5O2/c15-11-4-2-10(3-5-11)8-17-12(21)9-20-14(22)19-7-1-6-16-13(19)18-20/h1-7H,8-9H2,(H,17,21)
InChIKeyDWUYHKSDAVFSOK-UHFFFAOYSA-N
MW301.28 g/mol
LogP0.35
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide (PubChem CID 44895026) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
PubChem CID44895026
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
SMILESO=C(Cn1nc2ncccn2c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H12FN5O2/c15-11-4-2-10(3-5-11)8-17-12(21)9-20-14(22)19-7-1-6-16-13(19)18-20/h1-7H,8-9H2,(H,17,21)
InChIKeyDWUYHKSDAVFSOK-UHFFFAOYSA-N
XLogP0.35
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide (CID 44895026) is N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide is O=C(Cn1nc2ncccn2c1=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide?
The InChIKey is DWUYHKSDAVFSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2/c15-11-4-2-10(3-5-11)8-17-12(21)9-20-14(22)19-7-1-6-16-13(19)18-20/h1-7H,8-9H2,(H,17,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide has a molecular weight of 301.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 44895026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).