4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C11H14F2N6O — CID 82010296

IUPAC4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C11H14F2N6O/c1-2-4-14-9-16-10(19-6-3-5-15-19)18-11(17-9)20-7-8(12)13/h3,5-6,8H,2,4,7H2,1H3,(H,14,16,17,18)
InChIKeyAXRMFYSQRYOCSS-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.52
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 82010296) has the molecular formula C11H14F2N6O and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID82010296
Molecular FormulaC11H14F2N6O
Molecular Weight284.27 g/mol
Exact Mass284.12
IUPAC Name4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C11H14F2N6O/c1-2-4-14-9-16-10(19-6-3-5-15-19)18-11(17-9)20-7-8(12)13/h3,5-6,8H,2,4,7H2,1H3,(H,14,16,17,18)
InChIKeyAXRMFYSQRYOCSS-UHFFFAOYSA-N
XLogP1.52
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-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 4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 82010296) is 4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCCNc1nc(OCC(F)F)nc(-n2cccn2)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is AXRMFYSQRYOCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N6O/c1-2-4-14-9-16-10(19-6-3-5-15-19)18-11(17-9)20-7-8(12)13/h3,5-6,8H,2,4,7H2,1H3,(H,14,16,17,18).
What are the key properties of 4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 284.27 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82010296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).