1-cyclopentyltetrazole-5-carbaldehyde

C7H10N4O — CID 83873473

IUPAC1-cyclopentyltetrazole-5-carbaldehyde
SMILESO=Cc1nnnn1C1CCCC1
InChIInChI=1S/C7H10N4O/c12-5-7-8-9-10-11(7)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyJJINMWLHWJGAIP-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.60
Rot. Bonds2

About 1-cyclopentyltetrazole-5-carbaldehyde

1-cyclopentyltetrazole-5-carbaldehyde (PubChem CID 83873473) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-cyclopentyltetrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-cyclopentyltetrazole-5-carbaldehyde
PubChem CID83873473
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-cyclopentyltetrazole-5-carbaldehyde
SMILESO=Cc1nnnn1C1CCCC1
InChIInChI=1S/C7H10N4O/c12-5-7-8-9-10-11(7)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyJJINMWLHWJGAIP-UHFFFAOYSA-N
XLogP0.60
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyltetrazole-5-carboxylic acid
CID 83875985
4-cyclopentyl-1,2,4-triazole-3-carbaldehyde
CID 83873342
3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde
CID 105457641
1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde
CID 105474430
4-cyclobutyl-1,2,4-triazole-3-carbaldehyde
CID 83872512
3-cycloheptyltriazole-4-carbaldehyde
CID 105447334
3-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylbenzaldehyde
CID 81160572
3-cycloheptyl-5-ethyltriazole-4-carbaldehyde
CID 105478077
3-cyclohexyl-5-ethyltriazole-4-carbaldehyde
CID 105460839
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid
CID 55180519
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyltetrazole-5-carbaldehyde?
The IUPAC name of 1-cyclopentyltetrazole-5-carbaldehyde (CID 83873473) is 1-cyclopentyltetrazole-5-carbaldehyde.
What is the SMILES notation for 1-cyclopentyltetrazole-5-carbaldehyde?
The canonical SMILES for 1-cyclopentyltetrazole-5-carbaldehyde is O=Cc1nnnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyltetrazole-5-carbaldehyde?
The InChIKey is JJINMWLHWJGAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c12-5-7-8-9-10-11(7)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 1-cyclopentyltetrazole-5-carbaldehyde?
1-cyclopentyltetrazole-5-carbaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyltetrazole-5-carbaldehyde is sourced from PubChem (CID 83873473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).