2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C10H13N3O2 — CID 117131034

IUPAC2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCOCCCc1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C10H13N3O2/c1-15-7-3-4-8-11-9-5-2-6-10(14)13(9)12-8/h2,5-6H,3-4,7H2,1H3,(H,11,12)
InChIKeyPLRKHOZVMDXDOH-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.60
Rot. Bonds4

About 2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117131034) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117131034
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCOCCCc1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C10H13N3O2/c1-15-7-3-4-8-11-9-5-2-6-10(14)13(9)12-8/h2,5-6H,3-4,7H2,1H3,(H,11,12)
InChIKeyPLRKHOZVMDXDOH-UHFFFAOYSA-N
XLogP0.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117131029
2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117131063
2-(2-methoxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117131068
2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117131124
2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117131256
2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117131385
2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132911
2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132915
2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132919
2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132923
2-methyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132938
2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132943

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117131034) is 2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is COCCCc1nc2cccc(=O)n2[nH]1.
What is the InChIKey of 2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is PLRKHOZVMDXDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-15-7-3-4-8-11-9-5-2-6-10(14)13(9)12-8/h2,5-6H,3-4,7H2,1H3,(H,11,12).
What are the key properties of 2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 207.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117131034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).