1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone

C10H16N4O — CID 107063275

IUPAC1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(C)CCCC2)n1
InChIInChI=1S/C10H16N4O/c1-10(5-3-4-6-10)8(15)7-9-11-13-14(2)12-9/h3-7H2,1-2H3
InChIKeyQTKMPRVQAOKGOR-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.90
Rot. Bonds3

About 1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063275) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063275
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(C)CCCC2)n1
InChIInChI=1S/C10H16N4O/c1-10(5-3-4-6-10)8(15)7-9-11-13-14(2)12-9/h3-7H2,1-2H3
InChIKeyQTKMPRVQAOKGOR-UHFFFAOYSA-N
XLogP0.90
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047615
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063602
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047535
1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063428
1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046907
4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 107044922
1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047149
1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062017
5,5-dimethyl-2-[2-(2-methyltetrazol-5-yl)acetyl]cyclohexane-1,3-dione
CID 156598418
1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062169
1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid
CID 107045024
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
CID 114978838

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063275) is 1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2(C)CCCC2)n1.
What is the InChIKey of 1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is QTKMPRVQAOKGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(5-3-4-6-10)8(15)7-9-11-13-14(2)12-9/h3-7H2,1-2H3.
What are the key properties of 1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).