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

C13H11ClN4O — CID 117257411

IUPAC3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cccn2c(COc3cccc(Cl)c3)nnc12
InChIInChI=1S/C13H11ClN4O/c14-9-3-1-4-10(7-9)19-8-12-16-17-13-11(15)5-2-6-18(12)13/h1-7H,8,15H2
InChIKeyYEIXSHJAKFOCPK-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.54
Rot. Bonds3

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

3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 117257411) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID117257411
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cccn2c(COc3cccc(Cl)c3)nnc12
InChIInChI=1S/C13H11ClN4O/c14-9-3-1-4-10(7-9)19-8-12-16-17-13-11(15)5-2-6-18(12)13/h1-7H,8,15H2
InChIKeyYEIXSHJAKFOCPK-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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Related Compounds

methyl 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257476
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146911
5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257005
6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080163
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940
methyl 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257483
3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256903
2-chloro-4-[(3-chlorophenoxy)methyl]aniline
CID 117220338
5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine
CID 117214480
5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine
CID 117217070
2-[(3-chlorophenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998838
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 117257411) is 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Nc1cccn2c(COc3cccc(Cl)c3)nnc12.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is YEIXSHJAKFOCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-9-3-1-4-10(7-9)19-8-12-16-17-13-11(15)5-2-6-18(12)13/h1-7H,8,15H2.
What are the key properties of 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-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-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 117257411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).