sodium;butane;hydroxyurea

C5H13N2NaO2 — CID 175362296

IUPACsodium;butane;hydroxyurea
SMILESNC(=O)NO.[CH2-]CCC.[Na+]
InChIInChI=1S/C4H9.CH4N2O2.Na/c1-3-4-2;2-1(4)3-5;/h1,3-4H2,2H3;5H,(H3,2,3,4);/q-1;;+1
InChIKeyQLLSGCJLJSGDIF-UHFFFAOYSA-N
MW156.16 g/mol
LogP-2.33
Rot. Bonds1

About sodium;butane;hydroxyurea

sodium;butane;hydroxyurea (PubChem CID 175362296) has the molecular formula C5H13N2NaO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is sodium;butane;hydroxyurea.

Molecular Properties

Compound Namesodium;butane;hydroxyurea
PubChem CID175362296
Molecular FormulaC5H13N2NaO2
Molecular Weight156.16 g/mol
Exact Mass156.09
IUPAC Namesodium;butane;hydroxyurea
SMILESNC(=O)NO.[CH2-]CCC.[Na+]
InChIInChI=1S/C4H9.CH4N2O2.Na/c1-3-4-2;2-1(4)3-5;/h1,3-4H2,2H3;5H,(H3,2,3,4);/q-1;;+1
InChIKeyQLLSGCJLJSGDIF-UHFFFAOYSA-N
XLogP-2.33
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydroxyurea;dihydrochloride
CID 175264488
sodium;butane;butanedioic acid
CID 175010871
CID 175070344
CID 175070344
butane;titanium(4+);acetate
CID 161379335
butane;chlorotitanium(3+)
CID 24940344
hydroxyurea;sulfuric acid
CID 170163620
butane;platinum(2+)
CID 85439871
butane;terbium(3+)
CID 21057379
butane;lithium(1-)
CID 154172744
butane;tris(rubidium(1+))
CID 59203345
sodium;dodecane;propanedioic acid
CID 174969045
lithium;butane;formaldehyde
CID 174599553

Frequently Asked Questions

What is the IUPAC name of sodium;butane;hydroxyurea?
The IUPAC name of sodium;butane;hydroxyurea (CID 175362296) is sodium;butane;hydroxyurea.
What is the SMILES notation for sodium;butane;hydroxyurea?
The canonical SMILES for sodium;butane;hydroxyurea is NC(=O)NO.[CH2-]CCC.[Na+].
What is the InChIKey of sodium;butane;hydroxyurea?
The InChIKey is QLLSGCJLJSGDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.CH4N2O2.Na/c1-3-4-2;2-1(4)3-5;/h1,3-4H2,2H3;5H,(H3,2,3,4);/q-1;;+1.
What are the key properties of sodium;butane;hydroxyurea?
sodium;butane;hydroxyurea has a molecular weight of 156.16 g/mol, XLogP of -2.33, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butane;hydroxyurea is sourced from PubChem (CID 175362296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).