2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide

C17H21ClN6O2 — CID 167907349

IUPAC2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide
SMILESNC(=O)Cn1ncc(N2CCn3c(nc4c3CCCCC4)C2)c(Cl)c1=O
InChIInChI=1S/C17H21ClN6O2/c18-16-13(8-20-24(17(16)26)9-14(19)25)22-6-7-23-12-5-3-1-2-4-11(12)21-15(23)10-22/h8H,1-7,9-10H2,(H2,19,25)
InChIKeyBLCIYBCTOXNSAF-UHFFFAOYSA-N
MW376.85 g/mol
LogP0.87
Rot. Bonds3

About 2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide

2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide (PubChem CID 167907349) has the molecular formula C17H21ClN6O2 and a molecular weight of 376.85 g/mol. Its IUPAC name is 2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide
PubChem CID167907349
Molecular FormulaC17H21ClN6O2
Molecular Weight376.85 g/mol
Exact Mass376.14
IUPAC Name2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide
SMILESNC(=O)Cn1ncc(N2CCn3c(nc4c3CCCCC4)C2)c(Cl)c1=O
InChIInChI=1S/C17H21ClN6O2/c18-16-13(8-20-24(17(16)26)9-14(19)25)22-6-7-23-12-5-3-1-2-4-11(12)21-15(23)10-22/h8H,1-7,9-10H2,(H2,19,25)
InChIKeyBLCIYBCTOXNSAF-UHFFFAOYSA-N
XLogP0.87
TPSA99.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide?
The IUPAC name of 2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide (CID 167907349) is 2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide?
The canonical SMILES for 2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide is NC(=O)Cn1ncc(N2CCn3c(nc4c3CCCCC4)C2)c(Cl)c1=O.
What is the InChIKey of 2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide?
The InChIKey is BLCIYBCTOXNSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O2/c18-16-13(8-20-24(17(16)26)9-14(19)25)22-6-7-23-12-5-3-1-2-4-11(12)21-15(23)10-22/h8H,1-7,9-10H2,(H2,19,25).
What are the key properties of 2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide?
2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide has a molecular weight of 376.85 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-oxo-4-(2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-5-yl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 167907349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).