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

C9H8ClF3N6 — CID 63227420

IUPAC4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C9H8ClF3N6/c10-6-16-7(14-4-2-9(11,12)13)18-8(17-6)19-5-1-3-15-19/h1,3,5H,2,4H2,(H,14,16,17,18)
InChIKeyLSRMFNMKAMCOIB-UHFFFAOYSA-N
MW292.65 g/mol
LogP2.08
Rot. Bonds4

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

4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 63227420) has the molecular formula C9H8ClF3N6 and a molecular weight of 292.65 g/mol. Its IUPAC name is 4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
PubChem CID63227420
Molecular FormulaC9H8ClF3N6
Molecular Weight292.65 g/mol
Exact Mass292.05
IUPAC Name4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C9H8ClF3N6/c10-6-16-7(14-4-2-9(11,12)13)18-8(17-6)19-5-1-3-15-19/h1,3,5H,2,4H2,(H,14,16,17,18)
InChIKeyLSRMFNMKAMCOIB-UHFFFAOYSA-N
XLogP2.08
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (CID 63227420) is 4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is FC(F)(F)CCNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is LSRMFNMKAMCOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N6/c10-6-16-7(14-4-2-9(11,12)13)18-8(17-6)19-5-1-3-15-19/h1,3,5H,2,4H2,(H,14,16,17,18).
What are the key properties of 4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
4-chloro-6-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 292.65 g/mol, XLogP of 2.08, 4 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-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63227420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).