[3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine

C11H9ClN4O — CID 117140833

IUPAC[3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
SMILESNCc1cccc2nnc(-c3ccc(Cl)o3)n12
InChIInChI=1S/C11H9ClN4O/c12-9-5-4-8(17-9)11-15-14-10-3-1-2-7(6-13)16(10)11/h1-5H,6,13H2
InChIKeyDCVJBRDMHWGGPM-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.10
Rot. Bonds2

About [3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine

[3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine (PubChem CID 117140833) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is [3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
PubChem CID117140833
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name[3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
SMILESNCc1cccc2nnc(-c3ccc(Cl)o3)n12
InChIInChI=1S/C11H9ClN4O/c12-9-5-4-8(17-9)11-15-14-10-3-1-2-7(6-13)16(10)11/h1-5H,6,13H2
InChIKeyDCVJBRDMHWGGPM-UHFFFAOYSA-N
XLogP2.10
TPSA69.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine with MolForge

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Related Compounds

methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142734
5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117141885
5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 106688182
(3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine
CID 117140840
[4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine
CID 82343032
[3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
CID 117140939
2-(5-chlorofuran-2-yl)imidazo[1,2-a]pyridin-5-amine
CID 117132424
5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117141884
3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141106
[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
CID 117140734
3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine
CID 117140531
1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridin-5-ol
CID 117250468

Frequently Asked Questions

What is the IUPAC name of [3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?
The IUPAC name of [3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine (CID 117140833) is [3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine.
What is the SMILES notation for [3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?
The canonical SMILES for [3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine is NCc1cccc2nnc(-c3ccc(Cl)o3)n12.
What is the InChIKey of [3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?
The InChIKey is DCVJBRDMHWGGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-9-5-4-8(17-9)11-15-14-10-3-1-2-7(6-13)16(10)11/h1-5H,6,13H2.
What are the key properties of [3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?
[3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine has a molecular weight of 248.67 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine is sourced from PubChem (CID 117140833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).