5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine

C6H9FN4 — CID 22240088

IUPAC5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine
SMILESCC(C)(F)c1cnnc(N)n1
InChIInChI=1S/C6H9FN4/c1-6(2,7)4-3-9-11-5(8)10-4/h3H,1-2H3,(H2,8,10,11)
InChIKeyRQUTXSABMPDXJA-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.66
Rot. Bonds1

About 5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine

5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine (PubChem CID 22240088) has the molecular formula C6H9FN4 and a molecular weight of 156.16 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine
PubChem CID22240088
Molecular FormulaC6H9FN4
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Name5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine
SMILESCC(C)(F)c1cnnc(N)n1
InChIInChI=1S/C6H9FN4/c1-6(2,7)4-3-9-11-5(8)10-4/h3H,1-2H3,(H2,8,10,11)
InChIKeyRQUTXSABMPDXJA-UHFFFAOYSA-N
XLogP0.66
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine (CID 22240088) is 5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine is CC(C)(F)c1cnnc(N)n1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is RQUTXSABMPDXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4/c1-6(2,7)4-3-9-11-5(8)10-4/h3H,1-2H3,(H2,8,10,11).
What are the key properties of 5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine?
5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 156.16 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 22240088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).