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

C10H12F2N6O — CID 82009597

IUPAC4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C10H12F2N6O/c1-2-13-8-15-9(18-5-3-4-14-18)17-10(16-8)19-6-7(11)12/h3-5,7H,2,6H2,1H3,(H,13,15,16,17)
InChIKeyURMRGVWCWYLEIO-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.13
Rot. Bonds6

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

4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 82009597) has the molecular formula C10H12F2N6O and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID82009597
Molecular FormulaC10H12F2N6O
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C10H12F2N6O/c1-2-13-8-15-9(18-5-3-4-14-18)17-10(16-8)19-6-7(11)12/h3-5,7H,2,6H2,1H3,(H,13,15,16,17)
InChIKeyURMRGVWCWYLEIO-UHFFFAOYSA-N
XLogP1.13
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 82009597) is 4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCNc1nc(OCC(F)F)nc(-n2cccn2)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is URMRGVWCWYLEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N6O/c1-2-13-8-15-9(18-5-3-4-14-18)17-10(16-8)19-6-7(11)12/h3-5,7H,2,6H2,1H3,(H,13,15,16,17).
What are the key properties of 4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 270.24 g/mol, XLogP of 1.13, 6 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-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82009597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).