N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H19F2N5O — CID 56789651

IUPACN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(N(CCOC)CC(F)F)n2ncnc2n1
InChIInChI=1S/C13H19F2N5O/c1-3-4-10-7-12(20-13(18-10)16-9-17-20)19(5-6-21-2)8-11(14)15/h7,9,11H,3-6,8H2,1-2H3
InChIKeyZVHKXWAGDLXNGL-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.79
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56789651) has the molecular formula C13H19F2N5O and a molecular weight of 299.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID56789651
Molecular FormulaC13H19F2N5O
Molecular Weight299.32 g/mol
Exact Mass299.16
IUPAC NameN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(N(CCOC)CC(F)F)n2ncnc2n1
InChIInChI=1S/C13H19F2N5O/c1-3-4-10-7-12(20-13(18-10)16-9-17-20)19(5-6-21-2)8-11(14)15/h7,9,11H,3-6,8H2,1-2H3
InChIKeyZVHKXWAGDLXNGL-UHFFFAOYSA-N
XLogP1.79
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 56789651) is N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(N(CCOC)CC(F)F)n2ncnc2n1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZVHKXWAGDLXNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5O/c1-3-4-10-7-12(20-13(18-10)16-9-17-20)19(5-6-21-2)8-11(14)15/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 299.32 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56789651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).