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

C9H15N5O — CID 107061868

IUPAC1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(N)CCCC2)n1
InChIInChI=1S/C9H15N5O/c1-14-12-8(11-13-14)6-7(15)9(10)4-2-3-5-9/h2-6,10H2,1H3
InChIKeyVMQBCTLQQFXITJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.41
Rot. Bonds3

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

1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107061868) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107061868
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(N)CCCC2)n1
InChIInChI=1S/C9H15N5O/c1-14-12-8(11-13-14)6-7(15)9(10)4-2-3-5-9/h2-6,10H2,1H3
InChIKeyVMQBCTLQQFXITJ-UHFFFAOYSA-N
XLogP-0.41
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107061868) is 1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2(N)CCCC2)n1.
What is the InChIKey of 1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is VMQBCTLQQFXITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-14-12-8(11-13-14)6-7(15)9(10)4-2-3-5-9/h2-6,10H2,1H3.
What are the key properties of 1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 209.25 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107061868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).