cyclopentyl-(2-methyltetrazol-5-yl)methanone

C8H12N4O — CID 127004795

IUPACcyclopentyl-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2CCCC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-8(9-11-12)7(13)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyQYQXRALPORKAER-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.58
Rot. Bonds2

About cyclopentyl-(2-methyltetrazol-5-yl)methanone

cyclopentyl-(2-methyltetrazol-5-yl)methanone (PubChem CID 127004795) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is cyclopentyl-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(2-methyltetrazol-5-yl)methanone
PubChem CID127004795
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Namecyclopentyl-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2CCCC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-8(9-11-12)7(13)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyQYQXRALPORKAER-UHFFFAOYSA-N
XLogP0.58
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one
CID 137470716
2-[(2-Methyltetrazol-5-yl)methyl]cyclopentan-1-one
CID 107044512
2-[(2-Methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044514
2-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044540
1-Cyclopentyl-3-(2-methyltetrazol-5-yl)propan-1-one
CID 107044546
1-Cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046907
5-Methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107046933
3-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047052
1-Cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047092
1-(3-Methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047161
1-(3-Ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047164
1-(2-Methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047175

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of cyclopentyl-(2-methyltetrazol-5-yl)methanone (CID 127004795) is cyclopentyl-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for cyclopentyl-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for cyclopentyl-(2-methyltetrazol-5-yl)methanone is Cn1nnc(C(=O)C2CCCC2)n1.
What is the InChIKey of cyclopentyl-(2-methyltetrazol-5-yl)methanone?
The InChIKey is QYQXRALPORKAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-10-8(9-11-12)7(13)6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of cyclopentyl-(2-methyltetrazol-5-yl)methanone?
cyclopentyl-(2-methyltetrazol-5-yl)methanone has a molecular weight of 180.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 127004795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).