5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine

C5H6F2N4 — CID 22329503

IUPAC5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine
SMILESCC(F)(F)c1cnnc(N)n1
InChIInChI=1S/C5H6F2N4/c1-5(6,7)3-2-9-11-4(8)10-3/h2H,1H3,(H2,8,10,11)
InChIKeyLSGVEKDEHAZPAK-UHFFFAOYSA-N
MW160.13 g/mol
LogP0.57
Rot. Bonds1

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

5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine (PubChem CID 22329503) has the molecular formula C5H6F2N4 and a molecular weight of 160.13 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine
PubChem CID22329503
Molecular FormulaC5H6F2N4
Molecular Weight160.13 g/mol
Exact Mass160.06
IUPAC Name5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine
SMILESCC(F)(F)c1cnnc(N)n1
InChIInChI=1S/C5H6F2N4/c1-5(6,7)3-2-9-11-4(8)10-3/h2H,1H3,(H2,8,10,11)
InChIKeyLSGVEKDEHAZPAK-UHFFFAOYSA-N
XLogP0.57
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine (CID 22329503) is 5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine is CC(F)(F)c1cnnc(N)n1.
What is the InChIKey of 5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine?
The InChIKey is LSGVEKDEHAZPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4/c1-5(6,7)3-2-9-11-4(8)10-3/h2H,1H3,(H2,8,10,11).
What are the key properties of 5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine?
5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine has a molecular weight of 160.13 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 22329503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).