5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H20F3N5 — CID 90106702

IUPAC5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(-c3ccc(CN4CCC(C(F)(F)F)CC4)cc3)n2n1
InChIInChI=1S/C19H20F3N5/c20-19(21,22)15-8-10-26(11-9-15)12-13-4-6-14(7-5-13)16-2-1-3-17-24-18(23)25-27(16)17/h1-7,15H,8-12H2,(H2,23,25)
InChIKeyWWGFWBGQCOHSIS-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.75
Rot. Bonds3

About 5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 90106702) has the molecular formula C19H20F3N5 and a molecular weight of 375.40 g/mol. Its IUPAC name is 5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID90106702
Molecular FormulaC19H20F3N5
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC Name5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(-c3ccc(CN4CCC(C(F)(F)F)CC4)cc3)n2n1
InChIInChI=1S/C19H20F3N5/c20-19(21,22)15-8-10-26(11-9-15)12-13-4-6-14(7-5-13)16-2-1-3-17-24-18(23)25-27(16)17/h1-7,15H,8-12H2,(H2,23,25)
InChIKeyWWGFWBGQCOHSIS-UHFFFAOYSA-N
XLogP3.75
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 90106702) is 5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2cccc(-c3ccc(CN4CCC(C(F)(F)F)CC4)cc3)n2n1.
What is the InChIKey of 5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is WWGFWBGQCOHSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5/c20-19(21,22)15-8-10-26(11-9-15)12-13-4-6-14(7-5-13)16-2-1-3-17-24-18(23)25-27(16)17/h1-7,15H,8-12H2,(H2,23,25).
What are the key properties of 5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 375.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 90106702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).