N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

C17H17N7O2 — CID 71805129

IUPACN-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C17H17N7O2/c25-17(15-5-6-16(22-21-15)24-12-18-11-19-24)20-13-1-3-14(4-2-13)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2,(H,20,25)
InChIKeyUFQHBCNSGDADFX-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.15
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71805129) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
PubChem CID71805129
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C17H17N7O2/c25-17(15-5-6-16(22-21-15)24-12-18-11-19-24)20-13-1-3-14(4-2-13)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2,(H,20,25)
InChIKeyUFQHBCNSGDADFX-UHFFFAOYSA-N
XLogP1.15
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805115
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-(4-carbamoylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028121
N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805109
N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114572
N-(9H-fluoren-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805137
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114560
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805108
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313205
1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 121066972
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109123192

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (CID 71805129) is N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-n2cncn2)nn1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is UFQHBCNSGDADFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c25-17(15-5-6-16(22-21-15)24-12-18-11-19-24)20-13-1-3-14(4-2-13)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2,(H,20,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71805129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).