N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid

C14H16F5N5O2 — CID 134610686

IUPACN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid
SMILESFC1(F)CNCC[C@@H]1CNc1nc2ccccn2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15F2N5.C2HF3O2/c13-12(14)8-15-5-4-9(12)7-16-11-17-10-3-1-2-6-19(10)18-11;3-2(4,5)1(6)7/h1-3,6,9,15H,4-5,7-8H2,(H,16,18);(H,6,7)/t9-;/m1./s1
InChIKeyGOQXYGIGYQCQIC-SBSPUUFOSA-N
MW381.31 g/mol
LogP2.02
Rot. Bonds3

About N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid

N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 134610686) has the molecular formula C14H16F5N5O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID134610686
Molecular FormulaC14H16F5N5O2
Molecular Weight381.31 g/mol
Exact Mass381.12
IUPAC NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid
SMILESFC1(F)CNCC[C@@H]1CNc1nc2ccccn2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15F2N5.C2HF3O2/c13-12(14)8-15-5-4-9(12)7-16-11-17-10-3-1-2-6-19(10)18-11;3-2(4,5)1(6)7/h1-3,6,9,15H,4-5,7-8H2,(H,16,18);(H,6,7)/t9-;/m1./s1
InChIKeyGOQXYGIGYQCQIC-SBSPUUFOSA-N
XLogP2.02
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid (CID 134610686) is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid is FC1(F)CNCC[C@@H]1CNc1nc2ccccn2n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GOQXYGIGYQCQIC-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H15F2N5.C2HF3O2/c13-12(14)8-15-5-4-9(12)7-16-11-17-10-3-1-2-6-19(10)18-11;3-2(4,5)1(6)7/h1-3,6,9,15H,4-5,7-8H2,(H,16,18);(H,6,7)/t9-;/m1./s1.
What are the key properties of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid?
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 381.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134610686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).