2-aminobutanedihydrazide

C4H11N5O2 — CID 13018203

IUPAC2-aminobutanedihydrazide
SMILESNNC(=O)CC(N)C(=O)NN
InChIInChI=1S/C4H11N5O2/c5-2(4(11)9-7)1-3(10)8-6/h2H,1,5-7H2,(H,8,10)(H,9,11)
InChIKeyUWPWADIHIRRSNS-UHFFFAOYSA-N
MW161.16 g/mol
LogP-3.32
Rot. Bonds3

About 2-aminobutanedihydrazide

2-aminobutanedihydrazide (PubChem CID 13018203) has the molecular formula C4H11N5O2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-aminobutanedihydrazide.

Molecular Properties

Compound Name2-aminobutanedihydrazide
PubChem CID13018203
Molecular FormulaC4H11N5O2
Molecular Weight161.16 g/mol
Exact Mass161.09
IUPAC Name2-aminobutanedihydrazide
SMILESNNC(=O)CC(N)C(=O)NN
InChIInChI=1S/C4H11N5O2/c5-2(4(11)9-7)1-3(10)8-6/h2H,1,5-7H2,(H,8,10)(H,9,11)
InChIKeyUWPWADIHIRRSNS-UHFFFAOYSA-N
XLogP-3.32
TPSA136.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-3.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hydrazinyl-4-oxobutanoic acid
CID 18780182
3-amino-4-hydrazinyl-4-oxobutanoic acid;dihydrochloride
CID 138991140
(2R)-2-aminopentanedihydrazide
CID 13018201
[(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea
CID 175144137
3,3-difluoropropanehydrazide
CID 162600392
(2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite
CID 158164073
4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
3-ethyl-4-oxopentanehydrazide
CID 160685877
3-phosphanylbutanehydrazide
CID 163485274
3,5,5-trimethylhexanehydrazide
CID 142619235
pentane-1,3,5-tricarbohydrazide
CID 18368507
4-chloro-3-hydroxybutanehydrazide
CID 18471707

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedihydrazide?
The IUPAC name of 2-aminobutanedihydrazide (CID 13018203) is 2-aminobutanedihydrazide.
What is the SMILES notation for 2-aminobutanedihydrazide?
The canonical SMILES for 2-aminobutanedihydrazide is NNC(=O)CC(N)C(=O)NN.
What is the InChIKey of 2-aminobutanedihydrazide?
The InChIKey is UWPWADIHIRRSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5O2/c5-2(4(11)9-7)1-3(10)8-6/h2H,1,5-7H2,(H,8,10)(H,9,11).
What are the key properties of 2-aminobutanedihydrazide?
2-aminobutanedihydrazide has a molecular weight of 161.16 g/mol, XLogP of -3.32, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedihydrazide is sourced from PubChem (CID 13018203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).