2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine

C18H18F3N7 — CID 21062563

IUPAC2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESFC(F)(F)c1ccccc1-c1cc(Nc2ncn[nH]2)cc(N2CCNCC2)n1
InChIInChI=1S/C18H18F3N7/c19-18(20,21)14-4-2-1-3-13(14)15-9-12(25-17-23-11-24-27-17)10-16(26-15)28-7-5-22-6-8-28/h1-4,9-11,22H,5-8H2,(H2,23,24,25,26,27)
InChIKeyUEDAUIAVWSOMML-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.04
Rot. Bonds4

About 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine

2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine (PubChem CID 21062563) has the molecular formula C18H18F3N7 and a molecular weight of 389.39 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine
PubChem CID21062563
Molecular FormulaC18H18F3N7
Molecular Weight389.39 g/mol
Exact Mass389.16
IUPAC Name2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESFC(F)(F)c1ccccc1-c1cc(Nc2ncn[nH]2)cc(N2CCNCC2)n1
InChIInChI=1S/C18H18F3N7/c19-18(20,21)14-4-2-1-3-13(14)15-9-12(25-17-23-11-24-27-17)10-16(26-15)28-7-5-22-6-8-28/h1-4,9-11,22H,5-8H2,(H2,23,24,25,26,27)
InChIKeyUEDAUIAVWSOMML-UHFFFAOYSA-N
XLogP3.04
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine?
The IUPAC name of 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine (CID 21062563) is 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine.
What is the SMILES notation for 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine?
The canonical SMILES for 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine is FC(F)(F)c1ccccc1-c1cc(Nc2ncn[nH]2)cc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine?
The InChIKey is UEDAUIAVWSOMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7/c19-18(20,21)14-4-2-1-3-13(14)15-9-12(25-17-23-11-24-27-17)10-16(26-15)28-7-5-22-6-8-28/h1-4,9-11,22H,5-8H2,(H2,23,24,25,26,27).
What are the key properties of 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine?
2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine has a molecular weight of 389.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 21062563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).