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

C18H14FN5O — CID 4560706

IUPAC2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2nc(NCc3ccccc3F)[nH]n12
InChIInChI=1S/C18H14FN5O/c19-14-9-5-4-8-13(14)11-20-17-22-18-21-15(10-16(25)24(18)23-17)12-6-2-1-3-7-12/h1-10H,11H2,(H2,20,21,22,23)
InChIKeyISOHKMNKVRLQLW-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.84
Rot. Bonds4

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

2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 4560706) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID4560706
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2nc(NCc3ccccc3F)[nH]n12
InChIInChI=1S/C18H14FN5O/c19-14-9-5-4-8-13(14)11-20-17-22-18-21-15(10-16(25)24(18)23-17)12-6-2-1-3-7-12/h1-10H,11H2,(H2,20,21,22,23)
InChIKeyISOHKMNKVRLQLW-UHFFFAOYSA-N
XLogP2.84
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 3357859
2-[(4-methylphenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 5122601
5-(anilinomethyl)-2-[(2-chlorophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53207972
2-methylsulfanyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 2033843
2-(1,3-dioxoisoindol-2-yl)-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 46262642
N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563672
2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 3486325
2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155559035
3,4-dimethoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 1392021
6-chloro-5-methyl-2-[(2-methylphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 1243494
(3aR,7aR)-2-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51578705
2-[(4-fluorophenyl)methylamino]-5-[(4-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53208037

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 4560706) is 2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccc2)nc2nc(NCc3ccccc3F)[nH]n12.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ISOHKMNKVRLQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c19-14-9-5-4-8-13(14)11-20-17-22-18-21-15(10-16(25)24(18)23-17)12-6-2-1-3-7-12/h1-10H,11H2,(H2,20,21,22,23).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 335.34 g/mol, XLogP of 2.84, 4 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-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 4560706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).