[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

C14H13FN4 — CID 117143392

IUPAC[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(Cc3ccc(F)cc3)nnc2c1
InChIInChI=1S/C14H13FN4/c15-12-3-1-10(2-4-12)7-13-17-18-14-8-11(9-16)5-6-19(13)14/h1-6,8H,7,9,16H2
InChIKeyVNCIFIYHKKYLGQ-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.92
Rot. Bonds3

About [3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (PubChem CID 117143392) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
PubChem CID117143392
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(Cc3ccc(F)cc3)nnc2c1
InChIInChI=1S/C14H13FN4/c15-12-3-1-10(2-4-12)7-13-17-18-14-8-11(9-16)5-6-19(13)14/h1-6,8H,7,9,16H2
InChIKeyVNCIFIYHKKYLGQ-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 [3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (CID 117143392) is [3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is NCc1ccn2c(Cc3ccc(F)cc3)nnc2c1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The InChIKey is VNCIFIYHKKYLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c15-12-3-1-10(2-4-12)7-13-17-18-14-8-11(9-16)5-6-19(13)14/h1-6,8H,7,9,16H2.
What are the key properties of [3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-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 [3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 117143392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).