1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone

C9H10N4O2 — CID 107063527

IUPAC1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCc1cc(C(=O)Cc2nnn(C)n2)co1
InChIInChI=1S/C9H10N4O2/c1-6-3-7(5-15-6)8(14)4-9-10-12-13(2)11-9/h3,5H,4H2,1-2H3
InChIKeyVGPIBALELXAKQL-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.54
Rot. Bonds3

About 1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063527) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063527
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCc1cc(C(=O)Cc2nnn(C)n2)co1
InChIInChI=1S/C9H10N4O2/c1-6-3-7(5-15-6)8(14)4-9-10-12-13(2)11-9/h3,5H,4H2,1-2H3
InChIKeyVGPIBALELXAKQL-UHFFFAOYSA-N
XLogP0.54
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063270
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
CID 130573080
1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046842
1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063406
1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107061734
1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107944902
1-(3-bromo-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047423
1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046873
1-(4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047055
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107063236
1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063336
1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063250

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063527) is 1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is Cc1cc(C(=O)Cc2nnn(C)n2)co1.
What is the InChIKey of 1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is VGPIBALELXAKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6-3-7(5-15-6)8(14)4-9-10-12-13(2)11-9/h3,5H,4H2,1-2H3.
What are the key properties of 1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 206.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).