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

C11H13F3N6O — CID 80844474

IUPACN-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C11H13F3N6O/c1-2-4-15-8-17-9(20-6-3-5-16-20)19-10(18-8)21-7-11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,17,18,19)
InChIKeyITTIXNMCMBWMAI-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.82
Rot. Bonds6

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

N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 80844474) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID80844474
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC NameN-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C11H13F3N6O/c1-2-4-15-8-17-9(20-6-3-5-16-20)19-10(18-8)21-7-11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,17,18,19)
InChIKeyITTIXNMCMBWMAI-UHFFFAOYSA-N
XLogP1.82
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-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 N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 80844474) is N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CCCNc1nc(OCC(F)(F)F)nc(-n2cccn2)n1.
What is the InChIKey of N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is ITTIXNMCMBWMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c1-2-4-15-8-17-9(20-6-3-5-16-20)19-10(18-8)21-7-11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,17,18,19).
What are the key properties of N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 302.26 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80844474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).