[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine

C12H13FN4O — CID 118739738

IUPAC[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
SMILESNCC1Cn2nnc(-c3cccc(F)c3)c2CO1
InChIInChI=1S/C12H13FN4O/c13-9-3-1-2-8(4-9)12-11-7-18-10(5-14)6-17(11)16-15-12/h1-4,10H,5-7,14H2
InChIKeyRFPOGZWGYCHLCS-UHFFFAOYSA-N
MW248.26 g/mol
LogP0.94
Rot. Bonds2

About [3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine

[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine (PubChem CID 118739738) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
PubChem CID118739738
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
SMILESNCC1Cn2nnc(-c3cccc(F)c3)c2CO1
InChIInChI=1S/C12H13FN4O/c13-9-3-1-2-8(4-9)12-11-7-18-10(5-14)6-17(11)16-15-12/h1-4,10H,5-7,14H2
InChIKeyRFPOGZWGYCHLCS-UHFFFAOYSA-N
XLogP0.94
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine?
The IUPAC name of [3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine (CID 118739738) is [3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine.
What is the SMILES notation for [3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine?
The canonical SMILES for [3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine is NCC1Cn2nnc(-c3cccc(F)c3)c2CO1.
What is the InChIKey of [3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is RFPOGZWGYCHLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-9-3-1-2-8(4-9)12-11-7-18-10(5-14)6-17(11)16-15-12/h1-4,10H,5-7,14H2.
What are the key properties of [3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine?
[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 248.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 118739738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).