butanedihydrazide;hydrochloride

C4H11ClN4O2 — CID 54607274

IUPACbutanedihydrazide;hydrochloride
SMILESCl.NNC(=O)CCC(=O)NN
InChIInChI=1S/C4H10N4O2.ClH/c5-7-3(9)1-2-4(10)8-6;/h1-2,5-6H2,(H,7,9)(H,8,10);1H
InChIKeyULWWCGOEHRGITN-UHFFFAOYSA-N
MW182.61 g/mol
LogP-1.83
Rot. Bonds3

About butanedihydrazide;hydrochloride

butanedihydrazide;hydrochloride (PubChem CID 54607274) has the molecular formula C4H11ClN4O2 and a molecular weight of 182.61 g/mol. Its IUPAC name is butanedihydrazide;hydrochloride.

Molecular Properties

Compound Namebutanedihydrazide;hydrochloride
PubChem CID54607274
Molecular FormulaC4H11ClN4O2
Molecular Weight182.61 g/mol
Exact Mass182.06
IUPAC Namebutanedihydrazide;hydrochloride
SMILESCl.NNC(=O)CCC(=O)NN
InChIInChI=1S/C4H10N4O2.ClH/c5-7-3(9)1-2-4(10)8-6;/h1-2,5-6H2,(H,7,9)(H,8,10);1H
InChIKeyULWWCGOEHRGITN-UHFFFAOYSA-N
XLogP-1.83
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 5-1.83
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hexanedihydrazide;pentanedihydrazide
CID 157195533
4-N-methylbutanedihydrazide
CID 45122743
3-(methylamino)propanehydrazide
CID 59203678
propanehydrazide;dihydrochloride
CID 121342206
12-hydroxydodecanehydrazide
CID 12718243
3-trimethylstannylpropanehydrazide
CID 12901376
(3-hydrazinyl-3-oxopropyl) carbamate
CID 175058137
5-oxohexanehydrazide
CID 126993835
10-hydrazinyl-10-oxodecanoic acid
CID 175271493
pentane-1,3,5-tricarbohydrazide
CID 18368507
3,8-dioxodecanedihydrazide
CID 176897960
(3R,5S)-heptane-1,3,5,7-tetracarbohydrazide
CID 102254875

Frequently Asked Questions

What is the IUPAC name of butanedihydrazide;hydrochloride?
The IUPAC name of butanedihydrazide;hydrochloride (CID 54607274) is butanedihydrazide;hydrochloride.
What is the SMILES notation for butanedihydrazide;hydrochloride?
The canonical SMILES for butanedihydrazide;hydrochloride is Cl.NNC(=O)CCC(=O)NN.
What is the InChIKey of butanedihydrazide;hydrochloride?
The InChIKey is ULWWCGOEHRGITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2.ClH/c5-7-3(9)1-2-4(10)8-6;/h1-2,5-6H2,(H,7,9)(H,8,10);1H.
What are the key properties of butanedihydrazide;hydrochloride?
butanedihydrazide;hydrochloride has a molecular weight of 182.61 g/mol, XLogP of -1.83, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanedihydrazide;hydrochloride is sourced from PubChem (CID 54607274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).