2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

C11H18N4O — CID 107063347

IUPAC2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCn1nnc(CC(=O)C2C(C)(C)C2(C)C)n1
InChIInChI=1S/C11H18N4O/c1-10(2)9(11(10,3)4)7(16)6-8-12-14-15(5)13-8/h9H,6H2,1-5H3
InChIKeyTTXRTYKATFXJMY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.00
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (PubChem CID 107063347) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
PubChem CID107063347
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCn1nnc(CC(=O)C2C(C)(C)C2(C)C)n1
InChIInChI=1S/C11H18N4O/c1-10(2)9(11(10,3)4)7(16)6-8-12-14-15(5)13-8/h9H,6H2,1-5H3
InChIKeyTTXRTYKATFXJMY-UHFFFAOYSA-N
XLogP1.00
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone with MolForge

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Related Compounds

1-Cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone
CID 11378701
4,4-Dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044503
4-Tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044529
4-Methyl-3-[(2-methyltetrazol-5-yl)methyl]pentan-2-one
CID 107044536
1-Cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one
CID 107044538
5-Methyl-1-(2-methyltetrazol-5-yl)hexan-3-one
CID 107044542
1-[1-[(2-Methyltetrazol-5-yl)methyl]cyclopropyl]ethanone
CID 107044560
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
5-Methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107046933
1-(3-Methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046958
1-(4-Methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046960
3-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047052

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (CID 107063347) is 2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is Cn1nnc(CC(=O)C2C(C)(C)C2(C)C)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The InChIKey is TTXRTYKATFXJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-10(2)9(11(10,3)4)7(16)6-8-12-14-15(5)13-8/h9H,6H2,1-5H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is sourced from PubChem (CID 107063347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).