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

C13H10ClFN4 — CID 39080073

IUPAC6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Cl)cn2c(Cc3ccc(F)cc3)nnc12
InChIInChI=1S/C13H10ClFN4/c14-9-6-11(16)13-18-17-12(19(13)7-9)5-8-1-3-10(15)4-2-8/h1-4,6-7H,5,16H2
InChIKeyZKIAZNBRHQHDAA-UHFFFAOYSA-N
MW276.70 g/mol
LogP2.69
Rot. Bonds2

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

6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080073) has the molecular formula C13H10ClFN4 and a molecular weight of 276.70 g/mol. Its IUPAC name is 6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080073
Molecular FormulaC13H10ClFN4
Molecular Weight276.70 g/mol
Exact Mass276.06
IUPAC Name6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Cl)cn2c(Cc3ccc(F)cc3)nnc12
InChIInChI=1S/C13H10ClFN4/c14-9-6-11(16)13-18-17-12(19(13)7-9)5-8-1-3-10(15)4-2-8/h1-4,6-7H,5,16H2
InChIKeyZKIAZNBRHQHDAA-UHFFFAOYSA-N
XLogP2.69
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82058990
6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080056
6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080103
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]pyrazin-8-amine
CID 10037412
6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080095
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146911
[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143392
6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080115
6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139653
7-chloro-3-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65425926
6-bromo-2-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-8-amine
CID 94964278

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080073) is 6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Nc1cc(Cl)cn2c(Cc3ccc(F)cc3)nnc12.
What is the InChIKey of 6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is ZKIAZNBRHQHDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4/c14-9-6-11(16)13-18-17-12(19(13)7-9)5-8-1-3-10(15)4-2-8/h1-4,6-7H,5,16H2.
What are the key properties of 6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 276.70 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).