potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde

C14H11KN4O — CID 173044434

IUPACpotassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[H-].[K+]
InChIInChI=1S/C14H10N4O.K.H/c19-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-15-17-18-16-14;;/h1-9H,(H,15,16,17,18);;/q;+1;-1
InChIKeyDCCPUNNCBKNVGN-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.54
Rot. Bonds3

About potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde

potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde (PubChem CID 173044434) has the molecular formula C14H11KN4O and a molecular weight of 290.37 g/mol. Its IUPAC name is potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde.

Molecular Properties

Compound Namepotassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde
PubChem CID173044434
Molecular FormulaC14H11KN4O
Molecular Weight290.37 g/mol
Exact Mass290.06
IUPAC Namepotassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[H-].[K+]
InChIInChI=1S/C14H10N4O.K.H/c19-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-15-17-18-16-14;;/h1-9H,(H,15,16,17,18);;/q;+1;-1
InChIKeyDCCPUNNCBKNVGN-UHFFFAOYSA-N
XLogP-0.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
CID 59263962
2-[4-[2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]phenyl]benzonitrile
CID 176681364
1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carbothialdehyde
CID 19750419
3-[2-(2H-tetrazol-5-yl)phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4-triene
CID 143720555
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazol-1-ide-4-carbaldehyde
CID 23720940
5-ethyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 70197312
7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 57046645
[5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 68636440
2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole
CID 19002129
4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde
CID 88946416
1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine
CID 154446110
3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine
CID 151578231

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde?
The IUPAC name of potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde (CID 173044434) is potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde.
What is the SMILES notation for potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde?
The canonical SMILES for potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde is O=Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[H-].[K+].
What is the InChIKey of potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde?
The InChIKey is DCCPUNNCBKNVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O.K.H/c19-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-15-17-18-16-14;;/h1-9H,(H,15,16,17,18);;/q;+1;-1.
What are the key properties of potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde?
potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde has a molecular weight of 290.37 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde is sourced from PubChem (CID 173044434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).