7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C11H13F3N4 — CID 79041036

IUPAC7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCCCC(F)(F)F)n2ncnc2c1
InChIInChI=1S/C11H13F3N4/c1-8-5-9(15-4-2-3-11(12,13)14)18-10(6-8)16-7-17-18/h5-7,15H,2-4H2,1H3
InChIKeyRXMGFAXOFNRMQB-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.79
Rot. Bonds4

About 7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 79041036) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID79041036
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCCCC(F)(F)F)n2ncnc2c1
InChIInChI=1S/C11H13F3N4/c1-8-5-9(15-4-2-3-11(12,13)14)18-10(6-8)16-7-17-18/h5-7,15H,2-4H2,1H3
InChIKeyRXMGFAXOFNRMQB-UHFFFAOYSA-N
XLogP2.79
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 79041036) is 7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NCCCC(F)(F)F)n2ncnc2c1.
What is the InChIKey of 7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is RXMGFAXOFNRMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-8-5-9(15-4-2-3-11(12,13)14)18-10(6-8)16-7-17-18/h5-7,15H,2-4H2,1H3.
What are the key properties of 7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 258.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 79041036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).