1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone

C10H10N4O — CID 84670641

IUPAC1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone
SMILESCC(=O)c1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C10H10N4O/c1-7-3-5-9(6-4-7)14-10(8(2)15)11-12-13-14/h3-6H,1-2H3
InChIKeyQYORKEWAXSBSFO-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.17
Rot. Bonds2

About 1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone

1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone (PubChem CID 84670641) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone
PubChem CID84670641
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone
SMILESCC(=O)c1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C10H10N4O/c1-7-3-5-9(6-4-7)14-10(8(2)15)11-12-13-14/h3-6H,1-2H3
InChIKeyQYORKEWAXSBSFO-UHFFFAOYSA-N
XLogP1.17
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-isoquinolin-7-yltetrazol-5-yl)ethanone
CID 20718838
1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 10403670
1-(4-fluorophenyl)tetrazole-5-carboxylic acid
CID 83883582
1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone
CID 84673857
1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 91248510
3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42067106
(2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate
CID 9484215
(Z)-3-(dimethylamino)-2-[1-(4-methylphenyl)tetrazol-5-yl]-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6075100
N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310828
(2S)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 41312479
(4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone
CID 134836100
N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2615701

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone?
The IUPAC name of 1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone (CID 84670641) is 1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone?
The canonical SMILES for 1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone is CC(=O)c1nnnn1-c1ccc(C)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone?
The InChIKey is QYORKEWAXSBSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7-3-5-9(6-4-7)14-10(8(2)15)11-12-13-14/h3-6H,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone?
1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone has a molecular weight of 202.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone is sourced from PubChem (CID 84670641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).