4-hydrazinylphthalazine-1-carboxylic acid

C9H8N4O2 — CID 18801983

IUPAC4-hydrazinylphthalazine-1-carboxylic acid
SMILESNNc1nnc(C(=O)O)c2ccccc12
InChIInChI=1S/C9H8N4O2/c10-11-8-6-4-2-1-3-5(6)7(9(14)15)12-13-8/h1-4H,10H2,(H,11,13)(H,14,15)
InChIKeyZTMQKEKISNYKJY-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.61
Rot. Bonds2

About 4-hydrazinylphthalazine-1-carboxylic acid

4-hydrazinylphthalazine-1-carboxylic acid (PubChem CID 18801983) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-hydrazinylphthalazine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydrazinylphthalazine-1-carboxylic acid
PubChem CID18801983
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name4-hydrazinylphthalazine-1-carboxylic acid
SMILESNNc1nnc(C(=O)O)c2ccccc12
InChIInChI=1S/C9H8N4O2/c10-11-8-6-4-2-1-3-5(6)7(9(14)15)12-13-8/h1-4H,10H2,(H,11,13)(H,14,15)
InChIKeyZTMQKEKISNYKJY-UHFFFAOYSA-N
XLogP0.61
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate
CID 71587248
(4-benzoylphthalazin-1-yl)-phenylmethanone
CID 21134746
4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid
CID 42878221
5H-pyridazino[4,5-b]indole-1,4-dicarboxylic acid
CID 91128673
1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130
iridium;phenanthridine-6-carboxylic acid
CID 59015465
3,4-dimethoxyisoquinoline-1-carboxylic acid
CID 91217863
[4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine
CID 14902232
(6-chloro-4-phenylphthalazin-1-yl)hydrazine
CID 21283331
(8-phenylpyrido[2,3-d]pyridazin-5-yl)hydrazine;dihydrochloride
CID 22449286
3-[2-(carbamoylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2629330
9-aminophenanthridine-6-carboxylic acid
CID 131861121

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinylphthalazine-1-carboxylic acid?
The IUPAC name of 4-hydrazinylphthalazine-1-carboxylic acid (CID 18801983) is 4-hydrazinylphthalazine-1-carboxylic acid.
What is the SMILES notation for 4-hydrazinylphthalazine-1-carboxylic acid?
The canonical SMILES for 4-hydrazinylphthalazine-1-carboxylic acid is NNc1nnc(C(=O)O)c2ccccc12.
What is the InChIKey of 4-hydrazinylphthalazine-1-carboxylic acid?
The InChIKey is ZTMQKEKISNYKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-11-8-6-4-2-1-3-5(6)7(9(14)15)12-13-8/h1-4H,10H2,(H,11,13)(H,14,15).
What are the key properties of 4-hydrazinylphthalazine-1-carboxylic acid?
4-hydrazinylphthalazine-1-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinylphthalazine-1-carboxylic acid is sourced from PubChem (CID 18801983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).