7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C12H10FN5O2 — CID 104832185

IUPAC7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(Oc2c(N)cccc2F)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H10FN5O2/c1-6-15-10(5-9-16-17-12(19)18(6)9)20-11-7(13)3-2-4-8(11)14/h2-5H,14H2,1H3,(H,17,19)
InChIKeyDGWVCWLYRONMRM-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.24
Rot. Bonds2

About 7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 104832185) has the molecular formula C12H10FN5O2 and a molecular weight of 275.24 g/mol. Its IUPAC name is 7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID104832185
Molecular FormulaC12H10FN5O2
Molecular Weight275.24 g/mol
Exact Mass275.08
IUPAC Name7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(Oc2c(N)cccc2F)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H10FN5O2/c1-6-15-10(5-9-16-17-12(19)18(6)9)20-11-7(13)3-2-4-8(11)14/h2-5H,14H2,1H3,(H,17,19)
InChIKeyDGWVCWLYRONMRM-UHFFFAOYSA-N
XLogP1.24
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-(2-aminophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281427
7-[2-(hydroxymethyl)phenoxy]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 107713573
4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578866
7-(4-aminocyclohexyl)oxy-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284368
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline
CID 114786973
7-[(3-amino-4-pyridinyl)sulfanyl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284174
5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282208
3-fluoro-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 104832144
7-(3-chloro-4-fluoroanilino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281794
7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114253413
5-(3-fluorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94076789
5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 79106781

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 104832185) is 7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(Oc2c(N)cccc2F)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is DGWVCWLYRONMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O2/c1-6-15-10(5-9-16-17-12(19)18(6)9)20-11-7(13)3-2-4-8(11)14/h2-5H,14H2,1H3,(H,17,19).
What are the key properties of 7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 275.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 104832185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).