3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide

C3H8N4O2 — CID 2777210

IUPAC3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide
SMILESNNC(=O)CC(N)=NO
InChIInChI=1S/C3H8N4O2/c4-2(7-9)1-3(8)6-5/h9H,1,5H2,(H2,4,7)(H,6,8)
InChIKeyRNQBZKQTTCGQEF-UHFFFAOYSA-N
MW132.12 g/mol
LogP-1.89
Rot. Bonds2

About 3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide

3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide (PubChem CID 2777210) has the molecular formula C3H8N4O2 and a molecular weight of 132.12 g/mol. Its IUPAC name is 3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide.

Molecular Properties

Compound Name3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide
PubChem CID2777210
Molecular FormulaC3H8N4O2
Molecular Weight132.12 g/mol
Exact Mass132.06
IUPAC Name3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide
SMILESNNC(=O)CC(N)=NO
InChIInChI=1S/C3H8N4O2/c4-2(7-9)1-3(8)6-5/h9H,1,5H2,(H2,4,7)(H,6,8)
InChIKeyRNQBZKQTTCGQEF-UHFFFAOYSA-N
XLogP-1.89
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

1-N',3-N'-dihydroxypropanediimidamide
CID 59593648
(3E)-3-amino-3-hydroxyiminopropanoic acid;(3Z)-3-amino-3-hydroxyiminopropanoic acid
CID 158833017
N'-hydroxy-3-oxobutanimidamide
CID 23339865
bis(1-N',3-N'-dihydroxypropanediimidamide);nickel
CID 5259453
3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide
CID 104865818
(3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide
CID 62415405
3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 115564784
azanide;tris(1-N',3-N'-dihydroxypropanediimidamide);nickel
CID 5259455
(3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide
CID 43156049
3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide
CID 104870493
(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide
CID 43156042
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide?
The IUPAC name of 3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide (CID 2777210) is 3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide.
What is the SMILES notation for 3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide?
The canonical SMILES for 3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide is NNC(=O)CC(N)=NO.
What is the InChIKey of 3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide?
The InChIKey is RNQBZKQTTCGQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O2/c4-2(7-9)1-3(8)6-5/h9H,1,5H2,(H2,4,7)(H,6,8).
What are the key properties of 3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide?
3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide has a molecular weight of 132.12 g/mol, XLogP of -1.89, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide is sourced from PubChem (CID 2777210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).