4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C10H10ClF3N6O — CID 63834604

IUPAC4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)COCCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C10H10ClF3N6O/c11-7-17-8(15-3-5-21-6-10(12,13)14)19-9(18-7)20-4-1-2-16-20/h1-2,4H,3,5-6H2,(H,15,17,18,19)
InChIKeyTZIBCSYCOHASIZ-UHFFFAOYSA-N
MW322.68 g/mol
LogP1.70
Rot. Bonds6

About 4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 63834604) has the molecular formula C10H10ClF3N6O and a molecular weight of 322.68 g/mol. Its IUPAC name is 4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID63834604
Molecular FormulaC10H10ClF3N6O
Molecular Weight322.68 g/mol
Exact Mass322.06
IUPAC Name4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)COCCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C10H10ClF3N6O/c11-7-17-8(15-3-5-21-6-10(12,13)14)19-9(18-7)20-4-1-2-16-20/h1-2,4H,3,5-6H2,(H,15,17,18,19)
InChIKeyTZIBCSYCOHASIZ-UHFFFAOYSA-N
XLogP1.70
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.68
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 63834604) is 4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is FC(F)(F)COCCNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is TZIBCSYCOHASIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N6O/c11-7-17-8(15-3-5-21-6-10(12,13)14)19-9(18-7)20-4-1-2-16-20/h1-2,4H,3,5-6H2,(H,15,17,18,19).
What are the key properties of 4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 322.68 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 63834604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).