2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone

C18H20N4O2 — CID 157355169

IUPAC2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone
SMILESCOCCCNc1cccc2nc(CC(=O)c3ccccc3)nn12
InChIInChI=1S/C18H20N4O2/c1-24-12-6-11-19-17-9-5-10-18-20-16(21-22(17)18)13-15(23)14-7-3-2-4-8-14/h2-5,7-10,19H,6,11-13H2,1H3
InChIKeyBHZNTMRRQRAHGN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.60
Rot. Bonds8

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

2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone (PubChem CID 157355169) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone
PubChem CID157355169
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone
SMILESCOCCCNc1cccc2nc(CC(=O)c3ccccc3)nn12
InChIInChI=1S/C18H20N4O2/c1-24-12-6-11-19-17-9-5-10-18-20-16(21-22(17)18)13-15(23)14-7-3-2-4-8-14/h2-5,7-10,19H,6,11-13H2,1H3
InChIKeyBHZNTMRRQRAHGN-UHFFFAOYSA-N
XLogP2.60
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide
CID 110455570
2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone
CID 159900505
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
azepan-1-yl-[6-(3-methoxypropylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853312
1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
CID 158980152
3-methoxy-1-phenylpropan-1-one
CID 10942788
2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid
CID 110432706
methyl 3-[[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109365116
6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015
4-[[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193213
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide
CID 19144208

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone?
The IUPAC name of 2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone (CID 157355169) is 2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone is COCCCNc1cccc2nc(CC(=O)c3ccccc3)nn12.
What is the InChIKey of 2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone?
The InChIKey is BHZNTMRRQRAHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-12-6-11-19-17-9-5-10-18-20-16(21-22(17)18)13-15(23)14-7-3-2-4-8-14/h2-5,7-10,19H,6,11-13H2,1H3.
What are the key properties of 2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone?
2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone has a molecular weight of 324.38 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxypropylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-phenylethanone is sourced from PubChem (CID 157355169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).