N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

C14H12F3N5 — CID 56789627

IUPACN-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1nnc2ccccn12)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H12F3N5/c1-21(11-6-5-10(8-18-11)14(15,16)17)9-13-20-19-12-4-2-3-7-22(12)13/h2-8H,9H2,1H3
InChIKeyXOGOHQCKYMBVNA-UHFFFAOYSA-N
MW307.28 g/mol
LogP2.78
Rot. Bonds3

About N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 56789627) has the molecular formula C14H12F3N5 and a molecular weight of 307.28 g/mol. Its IUPAC name is N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID56789627
Molecular FormulaC14H12F3N5
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC NameN-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1nnc2ccccn12)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H12F3N5/c1-21(11-6-5-10(8-18-11)14(15,16)17)9-13-20-19-12-4-2-3-7-22(12)13/h2-8H,9H2,1H3
InChIKeyXOGOHQCKYMBVNA-UHFFFAOYSA-N
XLogP2.78
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 56789627) is N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is CN(Cc1nnc2ccccn12)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XOGOHQCKYMBVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5/c1-21(11-6-5-10(8-18-11)14(15,16)17)9-13-20-19-12-4-2-3-7-22(12)13/h2-8H,9H2,1H3.
What are the key properties of N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 307.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 56789627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).