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

C12H17F2N5O — CID 56789615

IUPACN-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CC(F)F)c1cc(COC)nc2ncnn12
InChIInChI=1S/C12H17F2N5O/c1-3-4-18(6-10(13)14)11-5-9(7-20-2)17-12-15-8-16-19(11)12/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyAZCRQKNUUAKXPD-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.75
Rot. Bonds7

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

N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56789615) has the molecular formula C12H17F2N5O and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID56789615
Molecular FormulaC12H17F2N5O
Molecular Weight285.30 g/mol
Exact Mass285.14
IUPAC NameN-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CC(F)F)c1cc(COC)nc2ncnn12
InChIInChI=1S/C12H17F2N5O/c1-3-4-18(6-10(13)14)11-5-9(7-20-2)17-12-15-8-16-19(11)12/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyAZCRQKNUUAKXPD-UHFFFAOYSA-N
XLogP1.75
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 56789615) is N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCN(CC(F)F)c1cc(COC)nc2ncnn12.
What is the InChIKey of N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AZCRQKNUUAKXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5O/c1-3-4-18(6-10(13)14)11-5-9(7-20-2)17-12-15-8-16-19(11)12/h5,8,10H,3-4,6-7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 285.30 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56789615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).