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

C11H14N4O3 — CID 83058568

IUPACN-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESC[C@@H](O)CNC(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C11H14N4O3/c1-8(16)6-12-10(17)7-15-11(18)14-5-3-2-4-9(14)13-15/h2-5,8,16H,6-7H2,1H3,(H,12,17)/t8-/m1/s1
InChIKeyUPIAWFCURMAKRV-MRVPVSSYSA-N
MW250.26 g/mol
LogP-1.01
Rot. Bonds4

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

N-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 83058568) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID83058568
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESC[C@@H](O)CNC(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C11H14N4O3/c1-8(16)6-12-10(17)7-15-11(18)14-5-3-2-4-9(14)13-15/h2-5,8,16H,6-7H2,1H3,(H,12,17)/t8-/m1/s1
InChIKeyUPIAWFCURMAKRV-MRVPVSSYSA-N
XLogP-1.01
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 83058568) is N-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is C[C@@H](O)CNC(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is UPIAWFCURMAKRV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-8(16)6-12-10(17)7-15-11(18)14-5-3-2-4-9(14)13-15/h2-5,8,16H,6-7H2,1H3,(H,12,17)/t8-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 250.26 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 83058568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).