N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine

C9H14F2N4 — CID 105362760

IUPACN-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC(F)F)nc1CC
InChIInChI=1S/C9H14F2N4/c1-3-6-7(4-2)14-15-9(13-6)12-5-8(10)11/h8H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyLDSSGYVKGYQJOH-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.67
Rot. Bonds5

About N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine

N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 105362760) has the molecular formula C9H14F2N4 and a molecular weight of 216.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID105362760
Molecular FormulaC9H14F2N4
Molecular Weight216.23 g/mol
Exact Mass216.12
IUPAC NameN-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC(F)F)nc1CC
InChIInChI=1S/C9H14F2N4/c1-3-6-7(4-2)14-15-9(13-6)12-5-8(10)11/h8H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyLDSSGYVKGYQJOH-UHFFFAOYSA-N
XLogP1.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine (CID 105362760) is N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(NCC(F)F)nc1CC.
What is the InChIKey of N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is LDSSGYVKGYQJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4/c1-3-6-7(4-2)14-15-9(13-6)12-5-8(10)11/h8H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 216.23 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).