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

C12H9F3N6 — CID 36570519

IUPACN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2nnc3ccccn23)n1
InChIInChI=1S/C12H9F3N6/c13-12(14,15)8-4-5-16-11(18-8)17-7-10-20-19-9-3-1-2-6-21(9)10/h1-6H,7H2,(H,16,17,18)
InChIKeyRTIGSOQHMAAVLG-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.15
Rot. Bonds3

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

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 36570519) has the molecular formula C12H9F3N6 and a molecular weight of 294.24 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID36570519
Molecular FormulaC12H9F3N6
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2nnc3ccccn23)n1
InChIInChI=1S/C12H9F3N6/c13-12(14,15)8-4-5-16-11(18-8)17-7-10-20-19-9-3-1-2-6-21(9)10/h1-6H,7H2,(H,16,17,18)
InChIKeyRTIGSOQHMAAVLG-UHFFFAOYSA-N
XLogP2.15
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 36570519) is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCc2nnc3ccccn23)n1.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RTIGSOQHMAAVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6/c13-12(14,15)8-4-5-16-11(18-8)17-7-10-20-19-9-3-1-2-6-21(9)10/h1-6H,7H2,(H,16,17,18).
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 294.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 36570519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).