N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C6H8ClN3O2 — CID 139521909

IUPACN-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCl)CCC1=O
InChIInChI=1S/C6H8ClN3O2/c1-10-5(11)3-2-4(9-10)6(12)8-7/h2-3H2,1H3,(H,8,12)
InChIKeyKIVCQCCAYKSNTG-UHFFFAOYSA-N
MW189.60 g/mol
LogP-0.14
Rot. Bonds1

About N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 139521909) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID139521909
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC NameN-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCl)CCC1=O
InChIInChI=1S/C6H8ClN3O2/c1-10-5(11)3-2-4(9-10)6(12)8-7/h2-3H2,1H3,(H,8,12)
InChIKeyKIVCQCCAYKSNTG-UHFFFAOYSA-N
XLogP-0.14
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 139521909) is N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCl)CCC1=O.
What is the InChIKey of N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is KIVCQCCAYKSNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c1-10-5(11)3-2-4(9-10)6(12)8-7/h2-3H2,1H3,(H,8,12).
What are the key properties of N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 189.60 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 139521909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).