N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine

C15H15ClF3N5 — CID 112942163

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESFC(F)(F)c1cc(Nc2cnnc(N3CCCCC3)n2)ccc1Cl
InChIInChI=1S/C15H15ClF3N5/c16-12-5-4-10(8-11(12)15(17,18)19)21-13-9-20-23-14(22-13)24-6-2-1-3-7-24/h4-5,8-9H,1-3,6-7H2,(H,21,22,23)
InChIKeyJLLKGHYAENVXAQ-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.28
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine (PubChem CID 112942163) has the molecular formula C15H15ClF3N5 and a molecular weight of 357.77 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
PubChem CID112942163
Molecular FormulaC15H15ClF3N5
Molecular Weight357.77 g/mol
Exact Mass357.10
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESFC(F)(F)c1cc(Nc2cnnc(N3CCCCC3)n2)ccc1Cl
InChIInChI=1S/C15H15ClF3N5/c16-12-5-4-10(8-11(12)15(17,18)19)21-13-9-20-23-14(22-13)24-6-2-1-3-7-24/h4-5,8-9H,1-3,6-7H2,(H,21,22,23)
InChIKeyJLLKGHYAENVXAQ-UHFFFAOYSA-N
XLogP4.28
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine (CID 112942163) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine is FC(F)(F)c1cc(Nc2cnnc(N3CCCCC3)n2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The InChIKey is JLLKGHYAENVXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N5/c16-12-5-4-10(8-11(12)15(17,18)19)21-13-9-20-23-14(22-13)24-6-2-1-3-7-24/h4-5,8-9H,1-3,6-7H2,(H,21,22,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine has a molecular weight of 357.77 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112942163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).