N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H19F3N6 — CID 99801920

IUPACN-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNc1c(C)c(C)nc2ncnn12)CC(F)(F)F
InChIInChI=1S/C13H19F3N6/c1-4-21(7-13(14,15)16)6-5-17-11-9(2)10(3)20-12-18-8-19-22(11)12/h8,17H,4-7H2,1-3H3
InChIKeyUCSAPJSDSUOZAW-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.04
Rot. Bonds6

About N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 99801920) has the molecular formula C13H19F3N6 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID99801920
Molecular FormulaC13H19F3N6
Molecular Weight316.33 g/mol
Exact Mass316.16
IUPAC NameN-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNc1c(C)c(C)nc2ncnn12)CC(F)(F)F
InChIInChI=1S/C13H19F3N6/c1-4-21(7-13(14,15)16)6-5-17-11-9(2)10(3)20-12-18-8-19-22(11)12/h8,17H,4-7H2,1-3H3
InChIKeyUCSAPJSDSUOZAW-UHFFFAOYSA-N
XLogP2.04
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 99801920) is N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCN(CCNc1c(C)c(C)nc2ncnn12)CC(F)(F)F.
What is the InChIKey of N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is UCSAPJSDSUOZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N6/c1-4-21(7-13(14,15)16)6-5-17-11-9(2)10(3)20-12-18-8-19-22(11)12/h8,17H,4-7H2,1-3H3.
What are the key properties of N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 316.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 99801920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).