2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C10H9N5OS — CID 43137968

IUPAC2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNc1nc(Cn2nc3ccccn3c2=O)cs1
InChIInChI=1S/C10H9N5OS/c11-9-12-7(6-17-9)5-15-10(16)14-4-2-1-3-8(14)13-15/h1-4,6H,5H2,(H2,11,12)
InChIKeySOBXNTVNOKJAIA-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.58
Rot. Bonds2

About 2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43137968) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43137968
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNc1nc(Cn2nc3ccccn3c2=O)cs1
InChIInChI=1S/C10H9N5OS/c11-9-12-7(6-17-9)5-15-10(16)14-4-2-1-3-8(14)13-15/h1-4,6H,5H2,(H2,11,12)
InChIKeySOBXNTVNOKJAIA-UHFFFAOYSA-N
XLogP0.58
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43320533
2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 62850138
2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618638
2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63330809
2-[(4-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79259843
2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579366
1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one
CID 62880002
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62893991
2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 75431413
2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115701777

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43137968) is 2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Nc1nc(Cn2nc3ccccn3c2=O)cs1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is SOBXNTVNOKJAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c11-9-12-7(6-17-9)5-15-10(16)14-4-2-1-3-8(14)13-15/h1-4,6H,5H2,(H2,11,12).
What are the key properties of 2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 247.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43137968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).