3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C14H13FN4 — CID 82058990

IUPAC3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1cc(N)cn2c(Cc3ccc(F)cc3)nnc12
InChIInChI=1S/C14H13FN4/c1-9-6-12(16)8-19-13(17-18-14(9)19)7-10-2-4-11(15)5-3-10/h2-6,8H,7,16H2,1H3
InChIKeyLTOYDFOYCRVNKQ-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.35
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 82058990) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID82058990
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1cc(N)cn2c(Cc3ccc(F)cc3)nnc12
InChIInChI=1S/C14H13FN4/c1-9-6-12(16)8-19-13(17-18-14(9)19)7-10-2-4-11(15)5-3-10/h2-6,8H,7,16H2,1H3
InChIKeyLTOYDFOYCRVNKQ-UHFFFAOYSA-N
XLogP2.35
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080073
3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 10037412
3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080157
[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143392
4-[(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]aniline
CID 62042814
7-chloro-3-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65425926
3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole
CID 115395245
[5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395859
4-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
CID 65349371
3-(bromomethyl)-5-[(4-fluorophenyl)methyl]-4-propyl-1,2,4-triazole
CID 113302536
3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147016
3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141154

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 82058990) is 3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Cc1cc(N)cn2c(Cc3ccc(F)cc3)nnc12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is LTOYDFOYCRVNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-9-6-12(16)8-19-13(17-18-14(9)19)7-10-2-4-11(15)5-3-10/h2-6,8H,7,16H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 256.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 82058990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).