N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine

C11H19F2N5 — CID 107494134

IUPACN'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESCCc1nnc(N(CCN)CC(F)F)nc1CC
InChIInChI=1S/C11H19F2N5/c1-3-8-9(4-2)16-17-11(15-8)18(6-5-14)7-10(12)13/h10H,3-7,14H2,1-2H3
InChIKeySBSMDFQPCFNEHD-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.03
Rot. Bonds7

About N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine

N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine (PubChem CID 107494134) has the molecular formula C11H19F2N5 and a molecular weight of 259.30 g/mol. Its IUPAC name is N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
PubChem CID107494134
Molecular FormulaC11H19F2N5
Molecular Weight259.30 g/mol
Exact Mass259.16
IUPAC NameN'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESCCc1nnc(N(CCN)CC(F)F)nc1CC
InChIInChI=1S/C11H19F2N5/c1-3-8-9(4-2)16-17-11(15-8)18(6-5-14)7-10(12)13/h10H,3-7,14H2,1-2H3
InChIKeySBSMDFQPCFNEHD-UHFFFAOYSA-N
XLogP1.03
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine (CID 107494134) is N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine is CCc1nnc(N(CCN)CC(F)F)nc1CC.
What is the InChIKey of N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The InChIKey is SBSMDFQPCFNEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N5/c1-3-8-9(4-2)16-17-11(15-8)18(6-5-14)7-10(12)13/h10H,3-7,14H2,1-2H3.
What are the key properties of N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine has a molecular weight of 259.30 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).