N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C10H12N4O3 — CID 43417092

IUPACN-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NCCO
InChIInChI=1S/C10H12N4O3/c15-6-4-11-9(16)7-14-10(17)13-5-2-1-3-8(13)12-14/h1-3,5,15H,4,6-7H2,(H,11,16)
InChIKeyMLTZKRNDLJWMIJ-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.40
Rot. Bonds4

About N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 43417092) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID43417092
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC NameN-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NCCO
InChIInChI=1S/C10H12N4O3/c15-6-4-11-9(16)7-14-10(17)13-5-2-1-3-8(13)12-14/h1-3,5,15H,4,6-7H2,(H,11,16)
InChIKeyMLTZKRNDLJWMIJ-UHFFFAOYSA-N
XLogP-1.40
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 43417092) is N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2ccccn2c1=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is MLTZKRNDLJWMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-6-4-11-9(16)7-14-10(17)13-5-2-1-3-8(13)12-14/h1-3,5,15H,4,6-7H2,(H,11,16).
What are the key properties of N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 236.23 g/mol, XLogP of -1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 43417092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).