2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide

C14H13N5O — CID 114387927

IUPAC2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide
SMILESCc1nnc(NC(=O)C(C#N)c2ccccc2)nc1C
InChIInChI=1S/C14H13N5O/c1-9-10(2)18-19-14(16-9)17-13(20)12(8-15)11-6-4-3-5-7-11/h3-7,12H,1-2H3,(H,16,17,19,20)
InChIKeyARNQIGCHUPGBHQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.73
Rot. Bonds3

About 2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide

2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide (PubChem CID 114387927) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide
PubChem CID114387927
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide
SMILESCc1nnc(NC(=O)C(C#N)c2ccccc2)nc1C
InChIInChI=1S/C14H13N5O/c1-9-10(2)18-19-14(16-9)17-13(20)12(8-15)11-6-4-3-5-7-11/h3-7,12H,1-2H3,(H,16,17,19,20)
InChIKeyARNQIGCHUPGBHQ-UHFFFAOYSA-N
XLogP1.73
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide (CID 114387927) is 2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide is Cc1nnc(NC(=O)C(C#N)c2ccccc2)nc1C.
What is the InChIKey of 2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide?
The InChIKey is ARNQIGCHUPGBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-10(2)18-19-14(16-9)17-13(20)12(8-15)11-6-4-3-5-7-11/h3-7,12H,1-2H3,(H,16,17,19,20).
What are the key properties of 2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide?
2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide has a molecular weight of 267.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide is sourced from PubChem (CID 114387927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).