N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide

C14H10N4O2 — CID 163399729

IUPACN-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide
SMILESCc1ccccc1C(=O)N(C=O)c1ncnc2c1C=N2
InChIInChI=1S/C14H10N4O2/c1-9-4-2-3-5-10(9)14(20)18(8-19)13-11-6-15-12(11)16-7-17-13/h2-8H,1H3
InChIKeyQBDFLXFLHLDACY-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.65
Rot. Bonds3

About N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide

N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide (PubChem CID 163399729) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide.

Molecular Properties

Compound NameN-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide
PubChem CID163399729
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC NameN-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide
SMILESCc1ccccc1C(=O)N(C=O)c1ncnc2c1C=N2
InChIInChI=1S/C14H10N4O2/c1-9-4-2-3-5-10(9)14(20)18(8-19)13-11-6-15-12(11)16-7-17-13/h2-8H,1H3
InChIKeyQBDFLXFLHLDACY-UHFFFAOYSA-N
XLogP1.65
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide?
The IUPAC name of N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide (CID 163399729) is N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide.
What is the SMILES notation for N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide?
The canonical SMILES for N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide is Cc1ccccc1C(=O)N(C=O)c1ncnc2c1C=N2.
What is the InChIKey of N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide?
The InChIKey is QBDFLXFLHLDACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c1-9-4-2-3-5-10(9)14(20)18(8-19)13-11-6-15-12(11)16-7-17-13/h2-8H,1H3.
What are the key properties of N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide?
N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide has a molecular weight of 266.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2-methyl-N-(2,4,8-triazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-5-yl)benzamide is sourced from PubChem (CID 163399729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).