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

C9H14N4O — CID 107046907

IUPAC1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCCC2)n1
InChIInChI=1S/C9H14N4O/c1-13-11-9(10-12-13)6-8(14)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeySNHPJQBAJXCPSD-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.51
Rot. Bonds3

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

1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107046907) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107046907
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCCC2)n1
InChIInChI=1S/C9H14N4O/c1-13-11-9(10-12-13)6-8(14)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeySNHPJQBAJXCPSD-UHFFFAOYSA-N
XLogP0.51
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047149
2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 107063318
1-(1,1-dioxothian-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063202
1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063428
5,5-dimethyl-2-[2-(2-methyltetrazol-5-yl)acetyl]cyclohexane-1,3-dione
CID 156598418
2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone
CID 107062100
1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063275
1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047615
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047094
1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
CID 107063286
1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063454

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone (CID 107046907) is 1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is SNHPJQBAJXCPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-11-9(10-12-13)6-8(14)7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of 1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone?
1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 194.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107046907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).