4-cyano-N-(1,2,4-triazin-3-yl)benzamide

C11H7N5O — CID 113242350

IUPAC4-cyano-N-(1,2,4-triazin-3-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2nccnn2)cc1
InChIInChI=1S/C11H7N5O/c12-7-8-1-3-9(4-2-8)10(17)15-11-13-5-6-14-16-11/h1-6H,(H,13,15,16,17)
InChIKeyXBUZCOHXILFKIT-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.00
Rot. Bonds2

About 4-cyano-N-(1,2,4-triazin-3-yl)benzamide

4-cyano-N-(1,2,4-triazin-3-yl)benzamide (PubChem CID 113242350) has the molecular formula C11H7N5O and a molecular weight of 225.21 g/mol. Its IUPAC name is 4-cyano-N-(1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(1,2,4-triazin-3-yl)benzamide
PubChem CID113242350
Molecular FormulaC11H7N5O
Molecular Weight225.21 g/mol
Exact Mass225.07
IUPAC Name4-cyano-N-(1,2,4-triazin-3-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2nccnn2)cc1
InChIInChI=1S/C11H7N5O/c12-7-8-1-3-9(4-2-8)10(17)15-11-13-5-6-14-16-11/h1-6H,(H,13,15,16,17)
InChIKeyXBUZCOHXILFKIT-UHFFFAOYSA-N
XLogP1.00
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 4-cyano-N-(1,2,4-triazin-3-yl)benzamide (CID 113242350) is 4-cyano-N-(1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 4-cyano-N-(1,2,4-triazin-3-yl)benzamide is N#Cc1ccc(C(=O)Nc2nccnn2)cc1.
What is the InChIKey of 4-cyano-N-(1,2,4-triazin-3-yl)benzamide?
The InChIKey is XBUZCOHXILFKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O/c12-7-8-1-3-9(4-2-8)10(17)15-11-13-5-6-14-16-11/h1-6H,(H,13,15,16,17).
What are the key properties of 4-cyano-N-(1,2,4-triazin-3-yl)benzamide?
4-cyano-N-(1,2,4-triazin-3-yl)benzamide has a molecular weight of 225.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 113242350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).