N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide

C16H20N4O3 — CID 3641175

IUPACN'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H20N4O3/c21-13-2-1-12(17-18-13)14(22)19-20-15(23)16-6-9-3-10(7-16)5-11(4-9)8-16/h1-2,9-11H,3-8H2,(H,18,21)(H,19,22)(H,20,23)
InChIKeyKSDZEUDDRUTILO-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.75
Rot. Bonds2

About N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide

N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide (PubChem CID 3641175) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
PubChem CID3641175
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H20N4O3/c21-13-2-1-12(17-18-13)14(22)19-20-15(23)16-6-9-3-10(7-16)5-11(4-9)8-16/h1-2,9-11H,3-8H2,(H,18,21)(H,19,22)(H,20,23)
InChIKeyKSDZEUDDRUTILO-UHFFFAOYSA-N
XLogP0.75
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.75
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 N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide?
The IUPAC name of N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide (CID 3641175) is N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide.
What is the SMILES notation for N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide?
The canonical SMILES for N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(=O)[nH]n1.
What is the InChIKey of N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide?
The InChIKey is KSDZEUDDRUTILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-13-2-1-12(17-18-13)14(22)19-20-15(23)16-6-9-3-10(7-16)5-11(4-9)8-16/h1-2,9-11H,3-8H2,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide?
N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide has a molecular weight of 316.36 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide is sourced from PubChem (CID 3641175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).