3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C16H15F3N4O — CID 66849121

IUPAC3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCC(C)c1nnc2c(N)cc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C16H15F3N4O/c1-9(2)14-21-22-15-13(20)7-11(8-23(14)15)10-3-5-12(6-4-10)24-16(17,18)19/h3-9H,20H2,1-2H3
InChIKeyAMNDFVNLFRDHLR-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.00
Rot. Bonds3

About 3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 66849121) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID66849121
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCC(C)c1nnc2c(N)cc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C16H15F3N4O/c1-9(2)14-21-22-15-13(20)7-11(8-23(14)15)10-3-5-12(6-4-10)24-16(17,18)19/h3-9H,20H2,1-2H3
InChIKeyAMNDFVNLFRDHLR-UHFFFAOYSA-N
XLogP4.00
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 66849312
2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 123431293
6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 134543895
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine
CID 83207724
2-(1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethoxy)aniline
CID 171391053
methyl 2-[2-amino-4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 154815090
3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 157183481
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
2-propoxy-5-[4-(trifluoromethoxy)phenyl]aniline
CID 59820872
2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171384957

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 66849121) is 3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is CC(C)c1nnc2c(N)cc(-c3ccc(OC(F)(F)F)cc3)cn12.
What is the InChIKey of 3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is AMNDFVNLFRDHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-9(2)14-21-22-15-13(20)7-11(8-23(14)15)10-3-5-12(6-4-10)24-16(17,18)19/h3-9H,20H2,1-2H3.
What are the key properties of 3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 336.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 66849121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).