6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide

C13H8ClN5O2 — CID 61249051

IUPAC6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nnco2)cc1)c1ccc(Cl)nn1
InChIInChI=1S/C13H8ClN5O2/c14-11-6-5-10(17-18-11)12(20)16-9-3-1-8(2-4-9)13-19-15-7-21-13/h1-7H,(H,16,20)
InChIKeyBOVPCLXOGFESNR-UHFFFAOYSA-N
MW301.69 g/mol
LogP2.43
Rot. Bonds3

About 6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide

6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 61249051) has the molecular formula C13H8ClN5O2 and a molecular weight of 301.69 g/mol. Its IUPAC name is 6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide
PubChem CID61249051
Molecular FormulaC13H8ClN5O2
Molecular Weight301.69 g/mol
Exact Mass301.04
IUPAC Name6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nnco2)cc1)c1ccc(Cl)nn1
InChIInChI=1S/C13H8ClN5O2/c14-11-6-5-10(17-18-11)12(20)16-9-3-1-8(2-4-9)13-19-15-7-21-13/h1-7H,(H,16,20)
InChIKeyBOVPCLXOGFESNR-UHFFFAOYSA-N
XLogP2.43
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
5-bromo-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-2-carboxamide
CID 62953575
N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide
CID 60859038
N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9072722
2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 114328432
[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea
CID 169355998
6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 51090180
methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate
CID 61041834
6-chloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-3-carboxamide
CID 61237341
N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide
CID 61051510
N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9075639

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide (CID 61249051) is 6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide is O=C(Nc1ccc(-c2nnco2)cc1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is BOVPCLXOGFESNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5O2/c14-11-6-5-10(17-18-11)12(20)16-9-3-1-8(2-4-9)13-19-15-7-21-13/h1-7H,(H,16,20).
What are the key properties of 6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide?
6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 301.69 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 61249051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).