1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide

C6H7N3O3 — CID 88556788

IUPAC1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)N=O)CCC1=O
InChIInChI=1S/C6H7N3O3/c1-9-5(10)3-2-4(7-9)6(11)8-12/h2-3H2,1H3
InChIKeyZEDDPHSBEPCBBJ-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.11
Rot. Bonds1

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

1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 88556788) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID88556788
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)N=O)CCC1=O
InChIInChI=1S/C6H7N3O3/c1-9-5(10)3-2-4(7-9)6(11)8-12/h2-3H2,1H3
InChIKeyZEDDPHSBEPCBBJ-UHFFFAOYSA-N
XLogP-0.11
TPSA79.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide (CID 88556788) is 1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)N=O)CCC1=O.
What is the InChIKey of 1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ZEDDPHSBEPCBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-9-5(10)3-2-4(7-9)6(11)8-12/h2-3H2,1H3.
What are the key properties of 1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 169.14 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N,6-dioxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 88556788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).