2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine

C14H14ClF3N6 — CID 89165589

IUPAC2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine
SMILESCc1nc(Cl)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C14H14ClF3N6/c1-9-20-12(15)22-13(21-9)24-7-5-23(6-8-24)11-10(14(16,17)18)3-2-4-19-11/h2-4H,5-8H2,1H3
InChIKeyFDQCNIBMOPDIQQ-UHFFFAOYSA-N
MW358.76 g/mol
LogP2.57
Rot. Bonds2

About 2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine

2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine (PubChem CID 89165589) has the molecular formula C14H14ClF3N6 and a molecular weight of 358.76 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine
PubChem CID89165589
Molecular FormulaC14H14ClF3N6
Molecular Weight358.76 g/mol
Exact Mass358.09
IUPAC Name2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine
SMILESCc1nc(Cl)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C14H14ClF3N6/c1-9-20-12(15)22-13(21-9)24-7-5-23(6-8-24)11-10(14(16,17)18)3-2-4-19-11/h2-4H,5-8H2,1H3
InChIKeyFDQCNIBMOPDIQQ-UHFFFAOYSA-N
XLogP2.57
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine (CID 89165589) is 2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine is Cc1nc(Cl)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1.
What is the InChIKey of 2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine?
The InChIKey is FDQCNIBMOPDIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N6/c1-9-20-12(15)22-13(21-9)24-7-5-23(6-8-24)11-10(14(16,17)18)3-2-4-19-11/h2-4H,5-8H2,1H3.
What are the key properties of 2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine?
2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine has a molecular weight of 358.76 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 89165589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).