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

C12H16N4O3 — CID 55060526

IUPACN-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCC(O)CN(C)C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C12H16N4O3/c1-9(17)7-14(2)11(18)8-16-12(19)15-6-4-3-5-10(15)13-16/h3-6,9,17H,7-8H2,1-2H3
InChIKeyTYDLCKJNBVFSMN-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.66
Rot. Bonds4

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

N-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 55060526) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID55060526
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC NameN-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCC(O)CN(C)C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C12H16N4O3/c1-9(17)7-14(2)11(18)8-16-12(19)15-6-4-3-5-10(15)13-16/h3-6,9,17H,7-8H2,1-2H3
InChIKeyTYDLCKJNBVFSMN-UHFFFAOYSA-N
XLogP-0.66
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 55060526) is N-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CC(O)CN(C)C(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is TYDLCKJNBVFSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-9(17)7-14(2)11(18)8-16-12(19)15-6-4-3-5-10(15)13-16/h3-6,9,17H,7-8H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 264.29 g/mol, XLogP of -0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 55060526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).