sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one

C5H9N4NaO — CID 174533237

IUPACsodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one
SMILESCCCC(=O)c1nn[nH]n1.[H-].[Na+]
InChIInChI=1S/C5H8N4O.Na.H/c1-2-3-4(10)5-6-8-9-7-5;;/h2-3H2,1H3,(H,6,7,8,9);;/q;+1;-1
InChIKeyWFJIGRMYBVRKCF-UHFFFAOYSA-N
MW164.14 g/mol
LogP-2.70
Rot. Bonds3

About sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one

sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one (PubChem CID 174533237) has the molecular formula C5H9N4NaO and a molecular weight of 164.14 g/mol. Its IUPAC name is sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one.

Molecular Properties

Compound Namesodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one
PubChem CID174533237
Molecular FormulaC5H9N4NaO
Molecular Weight164.14 g/mol
Exact Mass164.07
IUPAC Namesodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one
SMILESCCCC(=O)c1nn[nH]n1.[H-].[Na+]
InChIInChI=1S/C5H8N4O.Na.H/c1-2-3-4(10)5-6-8-9-7-5;;/h2-3H2,1H3,(H,6,7,8,9);;/q;+1;-1
InChIKeyWFJIGRMYBVRKCF-UHFFFAOYSA-N
XLogP-2.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 5-2.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-one
CID 283976
2-methyl-1-(2H-tetrazol-5-yl)propan-1-one
CID 53996970
6-(2H-tetrazol-5-yl)hexan-2-one
CID 57669491
1-(1H-1,2,3,4-tetrazol-5-yl)propan-1-one
CID 58432616
5-(2H-tetrazol-5-yl)pentan-2-one
CID 59450617
1-(2H-tetrazol-5-yl)butan-2-one
CID 67725109
1-(2H-tetrazol-5-yl)heptan-1-one
CID 70076206
1-(2H-tetrazol-5-yl)propane-1,2-dione
CID 131977054
3,3-dimethyl-1-(2H-tetrazol-5-yl)butane-1,2-dione
CID 131977055
1-(2H-tetrazol-5-yl)pentan-3-one
CID 140160284
molecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one
CID 143630465
molecular hydrogen;5-(2H-tetrazol-5-yl)pentan-2-one
CID 144084431

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one?
The IUPAC name of sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one (CID 174533237) is sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one.
What is the SMILES notation for sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one?
The canonical SMILES for sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one is CCCC(=O)c1nn[nH]n1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one?
The InChIKey is WFJIGRMYBVRKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O.Na.H/c1-2-3-4(10)5-6-8-9-7-5;;/h2-3H2,1H3,(H,6,7,8,9);;/q;+1;-1.
What are the key properties of sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one?
sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one has a molecular weight of 164.14 g/mol, XLogP of -2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one is sourced from PubChem (CID 174533237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).