[2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine

C14H13FN4 — CID 117132793

IUPAC[2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
SMILESNCc1cccc2nc(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C14H13FN4/c15-11-6-4-10(5-7-11)8-13-17-14-3-1-2-12(9-16)19(14)18-13/h1-7H,8-9,16H2
InChIKeyKEISNDJBTNPTMX-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.92
Rot. Bonds3

About [2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine

[2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine (PubChem CID 117132793) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
PubChem CID117132793
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name[2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
SMILESNCc1cccc2nc(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C14H13FN4/c15-11-6-4-10(5-7-11)8-13-17-14-3-1-2-12(9-16)19(14)18-13/h1-7H,8-9,16H2
InChIKeyKEISNDJBTNPTMX-UHFFFAOYSA-N
XLogP1.92
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The IUPAC name of [2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine (CID 117132793) is [2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine is NCc1cccc2nc(Cc3ccc(F)cc3)nn12.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The InChIKey is KEISNDJBTNPTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c15-11-6-4-10(5-7-11)8-13-17-14-3-1-2-12(9-16)19(14)18-13/h1-7H,8-9,16H2.
What are the key properties of [2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
[2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine has a molecular weight of 256.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine is sourced from PubChem (CID 117132793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).