2-[[amino(hydrazinyl)methylidene]amino]propanamide

C4H11N5O — CID 64867512

IUPAC2-[[amino(hydrazinyl)methylidene]amino]propanamide
SMILESCC(/N=C(\N)NN)C(N)=O
InChIInChI=1S/C4H11N5O/c1-2(3(5)10)8-4(6)9-7/h2H,7H2,1H3,(H2,5,10)(H3,6,8,9)
InChIKeyQTBAOPRQOSJFJK-UHFFFAOYSA-N
MW145.17 g/mol
LogP-2.36
Rot. Bonds2

About 2-[[amino(hydrazinyl)methylidene]amino]propanamide

2-[[amino(hydrazinyl)methylidene]amino]propanamide (PubChem CID 64867512) has the molecular formula C4H11N5O and a molecular weight of 145.17 g/mol. Its IUPAC name is 2-[[amino(hydrazinyl)methylidene]amino]propanamide.

Molecular Properties

Compound Name2-[[amino(hydrazinyl)methylidene]amino]propanamide
PubChem CID64867512
Molecular FormulaC4H11N5O
Molecular Weight145.17 g/mol
Exact Mass145.10
IUPAC Name2-[[amino(hydrazinyl)methylidene]amino]propanamide
SMILESCC(/N=C(\N)NN)C(N)=O
InChIInChI=1S/C4H11N5O/c1-2(3(5)10)8-4(6)9-7/h2H,7H2,1H3,(H2,5,10)(H3,6,8,9)
InChIKeyQTBAOPRQOSJFJK-UHFFFAOYSA-N
XLogP-2.36
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.17
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 142796198
2-(propan-2-ylideneamino)propanamide
CID 55290813
3-[[amino(hydrazinyl)methylidene]amino]butanamide
CID 104870450
diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate
CID 175233905
1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine
CID 104865678
hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane
CID 158608952
1-amino-2-[1-(4-methylphenyl)ethyl]guanidine
CID 64866886
ethyl 2-[[amino-(propan-2-ylamino)methylidene]amino]propanoate
CID 62362250
(2S)-2-diazenylpropanamide
CID 88574681
dimethylphosphane;2-hydroxypropanamide
CID 174842276
3-[[amino-(hydroxyamino)methylidene]amino]butanamide
CID 104870512
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide
CID 62364023

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(hydrazinyl)methylidene]amino]propanamide?
The IUPAC name of 2-[[amino(hydrazinyl)methylidene]amino]propanamide (CID 64867512) is 2-[[amino(hydrazinyl)methylidene]amino]propanamide.
What is the SMILES notation for 2-[[amino(hydrazinyl)methylidene]amino]propanamide?
The canonical SMILES for 2-[[amino(hydrazinyl)methylidene]amino]propanamide is CC(/N=C(\N)NN)C(N)=O.
What is the InChIKey of 2-[[amino(hydrazinyl)methylidene]amino]propanamide?
The InChIKey is QTBAOPRQOSJFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5O/c1-2(3(5)10)8-4(6)9-7/h2H,7H2,1H3,(H2,5,10)(H3,6,8,9).
What are the key properties of 2-[[amino(hydrazinyl)methylidene]amino]propanamide?
2-[[amino(hydrazinyl)methylidene]amino]propanamide has a molecular weight of 145.17 g/mol, XLogP of -2.36, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(hydrazinyl)methylidene]amino]propanamide is sourced from PubChem (CID 64867512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).