3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C13H11ClN4O — CID 117257021

IUPAC3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESNc1cccc2nnc(COc3ccc(Cl)cc3)n12
InChIInChI=1S/C13H11ClN4O/c14-9-4-6-10(7-5-9)19-8-13-17-16-12-3-1-2-11(15)18(12)13/h1-7H,8,15H2
InChIKeySIZMXBYFLIBQDX-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.54
Rot. Bonds3

About 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 117257021) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID117257021
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESNc1cccc2nnc(COc3ccc(Cl)cc3)n12
InChIInChI=1S/C13H11ClN4O/c14-9-4-6-10(7-5-9)19-8-13-17-16-12-3-1-2-11(15)18(12)13/h1-7H,8,15H2
InChIKeySIZMXBYFLIBQDX-UHFFFAOYSA-N
XLogP2.54
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 117257021) is 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is Nc1cccc2nnc(COc3ccc(Cl)cc3)n12.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is SIZMXBYFLIBQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-9-4-6-10(7-5-9)19-8-13-17-16-12-3-1-2-11(15)18(12)13/h1-7H,8,15H2.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 274.71 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 117257021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).