N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide

C15H12N4O4 — CID 2547939

IUPACN'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccco1
InChIInChI=1S/C15H12N4O4/c20-13(17-19-15(22)12-6-3-7-23-12)8-11-9-4-1-2-5-10(9)14(21)18-16-11/h1-7H,8H2,(H,17,20)(H,18,21)(H,19,22)
InChIKeyNMMMJZNFTOZRQK-UHFFFAOYSA-N
MW312.29 g/mol
LogP0.52
Rot. Bonds3

About N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide

N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide (PubChem CID 2547939) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide
PubChem CID2547939
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC NameN'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccco1
InChIInChI=1S/C15H12N4O4/c20-13(17-19-15(22)12-6-3-7-23-12)8-11-9-4-1-2-5-10(9)14(21)18-16-11/h1-7H,8H2,(H,17,20)(H,18,21)(H,19,22)
InChIKeyNMMMJZNFTOZRQK-UHFFFAOYSA-N
XLogP0.52
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
CID 21213678
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
CID 21213715
N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24683439
2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide
CID 17472409
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 34933676
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide (CID 2547939) is N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide is O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide?
The InChIKey is NMMMJZNFTOZRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c20-13(17-19-15(22)12-6-3-7-23-12)8-11-9-4-1-2-5-10(9)14(21)18-16-11/h1-7H,8H2,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide?
N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide has a molecular weight of 312.29 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 2547939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).