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

C17H18F3N5O — CID 59276377

IUPAC2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol
SMILESCC(C)(CO)Nc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12
InChIInChI=1S/C17H18F3N5O/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)
InChIKeyWPDRRAOKVUYGOJ-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.67
Rot. Bonds5

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

2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol (PubChem CID 59276377) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 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 Properties

Compound Name2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol
PubChem CID59276377
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol
SMILESCC(C)(CO)Nc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12
InChIInChI=1S/C17H18F3N5O/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)
InChIKeyWPDRRAOKVUYGOJ-UHFFFAOYSA-N
XLogP3.67
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.67
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?
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 (CID 59276377) is 2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol.
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?
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 is CC(C)(CO)Nc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12.
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?
The InChIKey is WPDRRAOKVUYGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/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).
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?
2-methyl-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]propan-1-ol has a molecular weight of 365.36 g/mol, XLogP of 3.67, 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 is sourced from PubChem (CID 59276377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).