3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide

C9H14N4O3 — CID 63578728

IUPAC3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
SMILESCc1c(C)c(=O)n(CCC(=O)NN)[nH]c1=O
InChIInChI=1S/C9H14N4O3/c1-5-6(2)9(16)13(12-8(5)15)4-3-7(14)11-10/h3-4,10H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyCXJNVZLOLGMAJY-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.47
Rot. Bonds3

About 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide

3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide (PubChem CID 63578728) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
PubChem CID63578728
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
SMILESCc1c(C)c(=O)n(CCC(=O)NN)[nH]c1=O
InChIInChI=1S/C9H14N4O3/c1-5-6(2)9(16)13(12-8(5)15)4-3-7(14)11-10/h3-4,10H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyCXJNVZLOLGMAJY-UHFFFAOYSA-N
XLogP-1.47
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide
CID 54267557
N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide
CID 129034342
3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide
CID 9179928
4,5-dimethyl-2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione
CID 55168717
5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide
CID 55213491
3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 55219479
3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
CID 60651180
3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanethioamide
CID 63270730
N-(3-amino-3-sulfanylidenepropyl)-3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide
CID 63270737
4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione
CID 63270782
2-(2-aminoethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270900
2-(3-aminopropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271077

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide?
The IUPAC name of 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide (CID 63578728) is 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide.
What is the SMILES notation for 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide?
The canonical SMILES for 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide is Cc1c(C)c(=O)n(CCC(=O)NN)[nH]c1=O.
What is the InChIKey of 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide?
The InChIKey is CXJNVZLOLGMAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5-6(2)9(16)13(12-8(5)15)4-3-7(14)11-10/h3-4,10H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide?
3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide has a molecular weight of 226.24 g/mol, XLogP of -1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide is sourced from PubChem (CID 63578728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).