3-[[amino(hydrazinyl)methylidene]amino]butanamide

C5H13N5O — CID 104870450

IUPAC3-[[amino(hydrazinyl)methylidene]amino]butanamide
SMILESCC(CC(N)=O)/N=C(\N)NN
InChIInChI=1S/C5H13N5O/c1-3(2-4(6)11)9-5(7)10-8/h3H,2,8H2,1H3,(H2,6,11)(H3,7,9,10)
InChIKeyJXAUDGIWBXNPJB-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.97
Rot. Bonds3

About 3-[[amino(hydrazinyl)methylidene]amino]butanamide

3-[[amino(hydrazinyl)methylidene]amino]butanamide (PubChem CID 104870450) has the molecular formula C5H13N5O and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-[[amino(hydrazinyl)methylidene]amino]butanamide.

Molecular Properties

Compound Name3-[[amino(hydrazinyl)methylidene]amino]butanamide
PubChem CID104870450
Molecular FormulaC5H13N5O
Molecular Weight159.19 g/mol
Exact Mass159.11
IUPAC Name3-[[amino(hydrazinyl)methylidene]amino]butanamide
SMILESCC(CC(N)=O)/N=C(\N)NN
InChIInChI=1S/C5H13N5O/c1-3(2-4(6)11)9-5(7)10-8/h3H,2,8H2,1H3,(H2,6,11)(H3,7,9,10)
InChIKeyJXAUDGIWBXNPJB-UHFFFAOYSA-N
XLogP-1.97
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.97
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

3-[[amino-(hydroxyamino)methylidene]amino]butanamide
CID 104870512
2-[[amino(hydrazinyl)methylidene]amino]propanamide
CID 64867512
(2S)-2-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 142796198
diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate
CID 175233905
(3R)-5-hydrazinyl-3-methyl-5-oxopentanamide
CID 173105688
1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine
CID 104865678
3-methylbutanamide
CID 87933309
3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide
CID 136952209
CID 178036338
CID 178036338
1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine
CID 64872450
2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 174735691
1-hydroxy-2-(1-methylsulfanylpropan-2-yl)guanidine
CID 104863199

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(hydrazinyl)methylidene]amino]butanamide?
The IUPAC name of 3-[[amino(hydrazinyl)methylidene]amino]butanamide (CID 104870450) is 3-[[amino(hydrazinyl)methylidene]amino]butanamide.
What is the SMILES notation for 3-[[amino(hydrazinyl)methylidene]amino]butanamide?
The canonical SMILES for 3-[[amino(hydrazinyl)methylidene]amino]butanamide is CC(CC(N)=O)/N=C(\N)NN.
What is the InChIKey of 3-[[amino(hydrazinyl)methylidene]amino]butanamide?
The InChIKey is JXAUDGIWBXNPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5O/c1-3(2-4(6)11)9-5(7)10-8/h3H,2,8H2,1H3,(H2,6,11)(H3,7,9,10).
What are the key properties of 3-[[amino(hydrazinyl)methylidene]amino]butanamide?
3-[[amino(hydrazinyl)methylidene]amino]butanamide has a molecular weight of 159.19 g/mol, XLogP of -1.97, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(hydrazinyl)methylidene]amino]butanamide is sourced from PubChem (CID 104870450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).