N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C15H13F3N4O — CID 66849946

IUPACN,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCN(C)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C15H13F3N4O/c1-21(2)14-20-19-13-8-5-11(9-22(13)14)10-3-6-12(7-4-10)23-15(16,17)18/h3-9H,1-2H3
InChIKeyGIMWDFPGQNEHNI-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.36
Rot. Bonds3

About N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 66849946) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID66849946
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCN(C)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C15H13F3N4O/c1-21(2)14-20-19-13-8-5-11(9-22(13)14)10-3-6-12(7-4-10)23-15(16,17)18/h3-9H,1-2H3
InChIKeyGIMWDFPGQNEHNI-UHFFFAOYSA-N
XLogP3.36
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 66849946) is N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CN(C)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.
What is the InChIKey of N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is GIMWDFPGQNEHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-21(2)14-20-19-13-8-5-11(9-22(13)14)10-3-6-12(7-4-10)23-15(16,17)18/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 322.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 66849946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).