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

C6H7F3N4 — CID 82403055

IUPAC3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1cnncn1
InChIInChI=1S/C6H7F3N4/c7-6(8,9)1-4(10)5-2-12-13-3-11-5/h2-4H,1,10H2
InChIKeyXMNJCSGVMWVRNH-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.82
Rot. Bonds2

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

3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine (PubChem CID 82403055) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine
PubChem CID82403055
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC Name3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1cnncn1
InChIInChI=1S/C6H7F3N4/c7-6(8,9)1-4(10)5-2-12-13-3-11-5/h2-4H,1,10H2
InChIKeyXMNJCSGVMWVRNH-UHFFFAOYSA-N
XLogP0.82
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine (CID 82403055) is 3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine is NC(CC(F)(F)F)c1cnncn1.
What is the InChIKey of 3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine?
The InChIKey is XMNJCSGVMWVRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4/c7-6(8,9)1-4(10)5-2-12-13-3-11-5/h2-4H,1,10H2.
What are the key properties of 3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine?
3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine has a molecular weight of 192.14 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine is sourced from PubChem (CID 82403055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).