2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H16FN5O — CID 666574

IUPAC2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3ccccc3F)nc2n1
InChIInChI=1S/C15H16FN5O/c1-2-5-11-8-13(22)21-15(18-11)19-14(20-21)17-9-10-6-3-4-7-12(10)16/h3-4,6-8H,2,5,9H2,1H3,(H2,17,18,19,20)
InChIKeyYHUXBCUKXXSCAA-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.12
Rot. Bonds5

About 2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 666574) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID666574
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3ccccc3F)nc2n1
InChIInChI=1S/C15H16FN5O/c1-2-5-11-8-13(22)21-15(18-11)19-14(20-21)17-9-10-6-3-4-7-12(10)16/h3-4,6-8H,2,5,9H2,1H3,(H2,17,18,19,20)
InChIKeyYHUXBCUKXXSCAA-UHFFFAOYSA-N
XLogP2.12
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 666574) is 2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(NCc3ccccc3F)nc2n1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YHUXBCUKXXSCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-2-5-11-8-13(22)21-15(18-11)19-14(20-21)17-9-10-6-3-4-7-12(10)16/h3-4,6-8H,2,5,9H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 301.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 666574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).