1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide

C17H17N5O3 — CID 78879861

IUPAC1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc[nH]1)C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C17H17N5O3/c23-15-9-8-14(21-22(15)11-12-5-2-1-3-6-12)17(25)20-19-16(24)13-7-4-10-18-13/h1-7,10,18H,8-9,11H2,(H,19,24)(H,20,25)
InChIKeyIZCKZIAPCOEVQD-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.95
Rot. Bonds4

About 1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide

1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide (PubChem CID 78879861) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide
PubChem CID78879861
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc[nH]1)C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C17H17N5O3/c23-15-9-8-14(21-22(15)11-12-5-2-1-3-6-12)17(25)20-19-16(24)13-7-4-10-18-13/h1-7,10,18H,8-9,11H2,(H,19,24)(H,20,25)
InChIKeyIZCKZIAPCOEVQD-UHFFFAOYSA-N
XLogP0.95
TPSA106.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide?
The IUPAC name of 1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide (CID 78879861) is 1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide?
The canonical SMILES for 1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide is O=C(NNC(=O)c1ccc[nH]1)C1=NN(Cc2ccccc2)C(=O)CC1.
What is the InChIKey of 1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide?
The InChIKey is IZCKZIAPCOEVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-15-9-8-14(21-22(15)11-12-5-2-1-3-6-12)17(25)20-19-16(24)13-7-4-10-18-13/h1-7,10,18H,8-9,11H2,(H,19,24)(H,20,25).
What are the key properties of 1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide?
1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide has a molecular weight of 339.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide is sourced from PubChem (CID 78879861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).