N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine

C17H13F3N6 — CID 24508306

IUPACN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCC(Nc1nc(C(F)(F)F)nc2ccccc12)c1nnc2ccccn12
InChIInChI=1S/C17H13F3N6/c1-10(15-25-24-13-8-4-5-9-26(13)15)21-14-11-6-2-3-7-12(11)22-16(23-14)17(18,19)20/h2-10H,1H3,(H,21,22,23)
InChIKeyIOOYAVJIQCFDAJ-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.86
Rot. Bonds3

About N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 24508306) has the molecular formula C17H13F3N6 and a molecular weight of 358.33 g/mol. Its IUPAC name is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID24508306
Molecular FormulaC17H13F3N6
Molecular Weight358.33 g/mol
Exact Mass358.12
IUPAC NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCC(Nc1nc(C(F)(F)F)nc2ccccc12)c1nnc2ccccn12
InChIInChI=1S/C17H13F3N6/c1-10(15-25-24-13-8-4-5-9-26(13)15)21-14-11-6-2-3-7-12(11)22-16(23-14)17(18,19)20/h2-10H,1H3,(H,21,22,23)
InChIKeyIOOYAVJIQCFDAJ-UHFFFAOYSA-N
XLogP3.86
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine (CID 24508306) is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine is CC(Nc1nc(C(F)(F)F)nc2ccccc12)c1nnc2ccccn12.
What is the InChIKey of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is IOOYAVJIQCFDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6/c1-10(15-25-24-13-8-4-5-9-26(13)15)21-14-11-6-2-3-7-12(11)22-16(23-14)17(18,19)20/h2-10H,1H3,(H,21,22,23).
What are the key properties of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine?
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 358.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 24508306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).