6-chloropyridazine-3-carboxamide

C5H4ClN3O — CID 12577557

IUPAC6-chloropyridazine-3-carboxamide
SMILESNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C5H4ClN3O/c6-4-2-1-3(5(7)10)8-9-4/h1-2H,(H2,7,10)
InChIKeyNMCKZYHQHAZHIO-UHFFFAOYSA-N
MW157.56 g/mol
LogP0.23
Rot. Bonds1

About 6-chloropyridazine-3-carboxamide

6-chloropyridazine-3-carboxamide (PubChem CID 12577557) has the molecular formula C5H4ClN3O and a molecular weight of 157.56 g/mol. Its IUPAC name is 6-chloropyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloropyridazine-3-carboxamide
PubChem CID12577557
Molecular FormulaC5H4ClN3O
Molecular Weight157.56 g/mol
Exact Mass157.00
IUPAC Name6-chloropyridazine-3-carboxamide
SMILESNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C5H4ClN3O/c6-4-2-1-3(5(7)10)8-9-4/h1-2H,(H2,7,10)
InChIKeyNMCKZYHQHAZHIO-UHFFFAOYSA-N
XLogP0.23
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.56
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloropyridazine-3-carboxamide?
The IUPAC name of 6-chloropyridazine-3-carboxamide (CID 12577557) is 6-chloropyridazine-3-carboxamide.
What is the SMILES notation for 6-chloropyridazine-3-carboxamide?
The canonical SMILES for 6-chloropyridazine-3-carboxamide is NC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloropyridazine-3-carboxamide?
The InChIKey is NMCKZYHQHAZHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O/c6-4-2-1-3(5(7)10)8-9-4/h1-2H,(H2,7,10).
What are the key properties of 6-chloropyridazine-3-carboxamide?
6-chloropyridazine-3-carboxamide has a molecular weight of 157.56 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridazine-3-carboxamide is sourced from PubChem (CID 12577557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).