N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide

C5H13N5O — CID 10080650

IUPACN'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide
SMILESCC(CC(=O)NN)/C(N)=N\N
InChIInChI=1S/C5H13N5O/c1-3(5(6)10-8)2-4(11)9-7/h3H,2,7-8H2,1H3,(H2,6,10)(H,9,11)
InChIKeyQWPRNYQWGWVJBM-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.77
Rot. Bonds3

About N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide

N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide (PubChem CID 10080650) has the molecular formula C5H13N5O and a molecular weight of 159.19 g/mol. Its IUPAC name is N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide.

Molecular Properties

Compound NameN'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide
PubChem CID10080650
Molecular FormulaC5H13N5O
Molecular Weight159.19 g/mol
Exact Mass159.11
IUPAC NameN'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide
SMILESCC(CC(=O)NN)/C(N)=N\N
InChIInChI=1S/C5H13N5O/c1-3(5(6)10-8)2-4(11)9-7/h3H,2,7-8H2,1H3,(H2,6,10)(H,9,11)
InChIKeyQWPRNYQWGWVJBM-UHFFFAOYSA-N
XLogP-1.77
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.77
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide?
The IUPAC name of N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide (CID 10080650) is N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide.
What is the SMILES notation for N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide?
The canonical SMILES for N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide is CC(CC(=O)NN)/C(N)=N\N.
What is the InChIKey of N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide?
The InChIKey is QWPRNYQWGWVJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5O/c1-3(5(6)10-8)2-4(11)9-7/h3H,2,7-8H2,1H3,(H2,6,10)(H,9,11).
What are the key properties of N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide?
N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide has a molecular weight of 159.19 g/mol, XLogP of -1.77, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-hydrazinyl-2-methyl-4-oxobutanimidamide is sourced from PubChem (CID 10080650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).