4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine

C10H10ClF3N6 — CID 115521589

IUPAC4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CCCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C10H10ClF3N6/c11-7-17-8(15-4-1-3-10(12,13)14)19-9(18-7)20-6-2-5-16-20/h2,5-6H,1,3-4H2,(H,15,17,18,19)
InChIKeyFAUCYKQVTQPPRC-UHFFFAOYSA-N
MW306.68 g/mol
LogP2.47
Rot. Bonds5

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

4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine (PubChem CID 115521589) has the molecular formula C10H10ClF3N6 and a molecular weight of 306.68 g/mol. Its IUPAC name is 4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
PubChem CID115521589
Molecular FormulaC10H10ClF3N6
Molecular Weight306.68 g/mol
Exact Mass306.06
IUPAC Name4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CCCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C10H10ClF3N6/c11-7-17-8(15-4-1-3-10(12,13)14)19-9(18-7)20-6-2-5-16-20/h2,5-6H,1,3-4H2,(H,15,17,18,19)
InChIKeyFAUCYKQVTQPPRC-UHFFFAOYSA-N
XLogP2.47
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine (CID 115521589) is 4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine is FC(F)(F)CCCNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine?
The InChIKey is FAUCYKQVTQPPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N6/c11-7-17-8(15-4-1-3-10(12,13)14)19-9(18-7)20-6-2-5-16-20/h2,5-6H,1,3-4H2,(H,15,17,18,19).
What are the key properties of 4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine?
4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine has a molecular weight of 306.68 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrazol-1-yl-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 115521589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).