2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C8H12N4O2 — CID 62937693

IUPAC2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESNC(=O)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C8H12N4O2/c9-6(13)5-12-8(14)11-4-2-1-3-7(11)10-12/h1-5H2,(H2,9,13)
InChIKeyVOVHLMVHSURTHE-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.13
Rot. Bonds2

About 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 62937693) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID62937693
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESNC(=O)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C8H12N4O2/c9-6(13)5-12-8(14)11-4-2-1-3-7(11)10-12/h1-5H2,(H2,9,13)
InChIKeyVOVHLMVHSURTHE-UHFFFAOYSA-N
XLogP-1.13
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 62937693) is 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is NC(=O)Cn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is VOVHLMVHSURTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-6(13)5-12-8(14)11-4-2-1-3-7(11)10-12/h1-5H2,(H2,9,13).
What are the key properties of 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 196.21 g/mol, XLogP of -1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 62937693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).