3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide

C12H8N4O2 — CID 131863810

IUPAC3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESN#Cc1ccc(-c2cc(C(N)=O)c(=O)[nH]n2)cc1
InChIInChI=1S/C12H8N4O2/c13-6-7-1-3-8(4-2-7)10-5-9(11(14)17)12(18)16-15-10/h1-5H,(H2,14,17)(H,16,18)
InChIKeyLRDUQOBQRPGCFJ-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.41
Rot. Bonds2

About 3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide

3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 131863810) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID131863810
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESN#Cc1ccc(-c2cc(C(N)=O)c(=O)[nH]n2)cc1
InChIInChI=1S/C12H8N4O2/c13-6-7-1-3-8(4-2-7)10-5-9(11(14)17)12(18)16-15-10/h1-5H,(H2,14,17)(H,16,18)
InChIKeyLRDUQOBQRPGCFJ-UHFFFAOYSA-N
XLogP0.41
TPSA112.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of 3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide (CID 131863810) is 3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide is N#Cc1ccc(-c2cc(C(N)=O)c(=O)[nH]n2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is LRDUQOBQRPGCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c13-6-7-1-3-8(4-2-7)10-5-9(11(14)17)12(18)16-15-10/h1-5H,(H2,14,17)(H,16,18).
What are the key properties of 3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide?
3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 131863810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).