N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H21F3N6 — CID 133316019

IUPACN,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)C2CCCN(c3ccccc3)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C19H21F3N6/c1-13-11-16(28-18(23-13)24-17(25-28)19(20,21)22)26(2)15-9-6-10-27(12-15)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3
InChIKeyZOQPEVLXHYVLFT-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.56
Rot. Bonds3

About N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133316019) has the molecular formula C19H21F3N6 and a molecular weight of 390.41 g/mol. Its IUPAC name is N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133316019
Molecular FormulaC19H21F3N6
Molecular Weight390.41 g/mol
Exact Mass390.18
IUPAC NameN,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)C2CCCN(c3ccccc3)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C19H21F3N6/c1-13-11-16(28-18(23-13)24-17(25-28)19(20,21)22)26(2)15-9-6-10-27(12-15)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3
InChIKeyZOQPEVLXHYVLFT-UHFFFAOYSA-N
XLogP3.56
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133316019) is N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)C2CCCN(c3ccccc3)C2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZOQPEVLXHYVLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6/c1-13-11-16(28-18(23-13)24-17(25-28)19(20,21)22)26(2)15-9-6-10-27(12-15)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3.
What are the key properties of N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 390.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(1-phenylpiperidin-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133316019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).