N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide

C12H9N5O — CID 113439096

IUPACN-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
SMILESN#Cc1cc(N)ccc1NC(=O)c1ccnnc1
InChIInChI=1S/C12H9N5O/c13-6-9-5-10(14)1-2-11(9)17-12(18)8-3-4-15-16-7-8/h1-5,7H,14H2,(H,17,18)
InChIKeyRKJSRROTYKVXQT-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.18
Rot. Bonds2

About N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide

N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide (PubChem CID 113439096) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
PubChem CID113439096
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC NameN-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
SMILESN#Cc1cc(N)ccc1NC(=O)c1ccnnc1
InChIInChI=1S/C12H9N5O/c13-6-9-5-10(14)1-2-11(9)17-12(18)8-3-4-15-16-7-8/h1-5,7H,14H2,(H,17,18)
InChIKeyRKJSRROTYKVXQT-UHFFFAOYSA-N
XLogP1.18
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
CID 63724359
N-(3,4-dicyanophenyl)pyridazine-4-carboxamide
CID 103944391
N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide
CID 114818637
N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
CID 63194249
N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669159
N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide
CID 43548914
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683
2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
CID 82704028
N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82708795

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide (CID 113439096) is N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide is N#Cc1cc(N)ccc1NC(=O)c1ccnnc1.
What is the InChIKey of N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide?
The InChIKey is RKJSRROTYKVXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c13-6-9-5-10(14)1-2-11(9)17-12(18)8-3-4-15-16-7-8/h1-5,7H,14H2,(H,17,18).
What are the key properties of N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide?
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 113439096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).