2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine

C9H15FN4O — CID 126857077

IUPAC2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine
SMILESCn1cnnc1CNC1CCCOC1F
InChIInChI=1S/C9H15FN4O/c1-14-6-12-13-8(14)5-11-7-3-2-4-15-9(7)10/h6-7,9,11H,2-5H2,1H3
InChIKeyZWTKHONJCSVBPL-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.38
Rot. Bonds3

About 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine

2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine (PubChem CID 126857077) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine
PubChem CID126857077
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine
SMILESCn1cnnc1CNC1CCCOC1F
InChIInChI=1S/C9H15FN4O/c1-14-6-12-13-8(14)5-11-7-3-2-4-15-9(7)10/h6-7,9,11H,2-5H2,1H3
InChIKeyZWTKHONJCSVBPL-UHFFFAOYSA-N
XLogP0.38
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine?
The IUPAC name of 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine (CID 126857077) is 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine.
What is the SMILES notation for 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine?
The canonical SMILES for 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine is Cn1cnnc1CNC1CCCOC1F.
What is the InChIKey of 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine?
The InChIKey is ZWTKHONJCSVBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-14-6-12-13-8(14)5-11-7-3-2-4-15-9(7)10/h6-7,9,11H,2-5H2,1H3.
What are the key properties of 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine?
2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine has a molecular weight of 214.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-3-amine is sourced from PubChem (CID 126857077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).