2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide

C19H16N6O2 — CID 20953438

IUPAC2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)NCc1ccccn1
InChIInChI=1S/C19H16N6O2/c26-18(21-11-15-8-4-5-9-20-15)12-24-19(27)17-10-16(23-25(17)13-22-24)14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,21,26)
InChIKeyNLCBSRFFPRYOQZ-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.27
Rot. Bonds5

About 2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 20953438) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID20953438
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)NCc1ccccn1
InChIInChI=1S/C19H16N6O2/c26-18(21-11-15-8-4-5-9-20-15)12-24-19(27)17-10-16(23-25(17)13-22-24)14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,21,26)
InChIKeyNLCBSRFFPRYOQZ-UHFFFAOYSA-N
XLogP1.27
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 20953438) is 2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)NCc1ccccn1.
What is the InChIKey of 2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is NLCBSRFFPRYOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c26-18(21-11-15-8-4-5-9-20-15)12-24-19(27)17-10-16(23-25(17)13-22-24)14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,21,26).
What are the key properties of 2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 360.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 20953438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).