3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine

C9H9Cl2F3N4 — CID 81035575

IUPAC3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine
SMILESFC(F)(F)C1CCN(c2nc(Cl)nnc2Cl)CC1
InChIInChI=1S/C9H9Cl2F3N4/c10-6-7(15-8(11)17-16-6)18-3-1-5(2-4-18)9(12,13)14/h5H,1-4H2
InChIKeyPQSLJCSCUNTJTA-UHFFFAOYSA-N
MW301.10 g/mol
LogP2.96
Rot. Bonds1

About 3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine

3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine (PubChem CID 81035575) has the molecular formula C9H9Cl2F3N4 and a molecular weight of 301.10 g/mol. Its IUPAC name is 3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine
PubChem CID81035575
Molecular FormulaC9H9Cl2F3N4
Molecular Weight301.10 g/mol
Exact Mass300.02
IUPAC Name3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine
SMILESFC(F)(F)C1CCN(c2nc(Cl)nnc2Cl)CC1
InChIInChI=1S/C9H9Cl2F3N4/c10-6-7(15-8(11)17-16-6)18-3-1-5(2-4-18)9(12,13)14/h5H,1-4H2
InChIKeyPQSLJCSCUNTJTA-UHFFFAOYSA-N
XLogP2.96
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine (CID 81035575) is 3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine is FC(F)(F)C1CCN(c2nc(Cl)nnc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine?
The InChIKey is PQSLJCSCUNTJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F3N4/c10-6-7(15-8(11)17-16-6)18-3-1-5(2-4-18)9(12,13)14/h5H,1-4H2.
What are the key properties of 3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine?
3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine has a molecular weight of 301.10 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 81035575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).