2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen

C17H20F3N5O — CID 160829965

IUPAC2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen
SMILESCC(C)(CO)Nc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12.[H][H]
InChIInChI=1S/C17H18F3N5O.H2/c1-16(2,10-26)23-14-5-3-4-13-22-15(24-25(13)14)21-12-8-6-11(7-9-12)17(18,19)20;/h3-9,23,26H,10H2,1-2H3,(H,21,24);1H
InChIKeySGRASSHFEOFTPX-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.92
Rot. Bonds5

About 2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen

2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen (PubChem CID 160829965) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen
PubChem CID160829965
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen
SMILESCC(C)(CO)Nc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12.[H][H]
InChIInChI=1S/C17H18F3N5O.H2/c1-16(2,10-26)23-14-5-3-4-13-22-15(24-25(13)14)21-12-8-6-11(7-9-12)17(18,19)20;/h3-9,23,26H,10H2,1-2H3,(H,21,24);1H
InChIKeySGRASSHFEOFTPX-UHFFFAOYSA-N
XLogP3.92
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen?
The IUPAC name of 2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen (CID 160829965) is 2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen.
What is the SMILES notation for 2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen?
The canonical SMILES for 2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen is CC(C)(CO)Nc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12.[H][H].
What is the InChIKey of 2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen?
The InChIKey is SGRASSHFEOFTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O.H2/c1-16(2,10-26)23-14-5-3-4-13-22-15(24-25(13)14)21-12-8-6-11(7-9-12)17(18,19)20;/h3-9,23,26H,10H2,1-2H3,(H,21,24);1H.
What are the key properties of 2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen?
2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen has a molecular weight of 367.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol;molecular hydrogen is sourced from PubChem (CID 160829965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).