N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine

C11H16N6O — CID 62196313

IUPACN-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESc1ncc2nnnn2c1NCCOC1CCCC1
InChIInChI=1S/C11H16N6O/c1-2-4-9(3-1)18-6-5-13-10-7-12-8-11-14-15-16-17(10)11/h7-9,13H,1-6H2
InChIKeyKVRLWWJCPKCUIL-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.89
Rot. Bonds5

About N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine

N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 62196313) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID62196313
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESc1ncc2nnnn2c1NCCOC1CCCC1
InChIInChI=1S/C11H16N6O/c1-2-4-9(3-1)18-6-5-13-10-7-12-8-11-14-15-16-17(10)11/h7-9,13H,1-6H2
InChIKeyKVRLWWJCPKCUIL-UHFFFAOYSA-N
XLogP0.89
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine (CID 62196313) is N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine is c1ncc2nnnn2c1NCCOC1CCCC1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is KVRLWWJCPKCUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-2-4-9(3-1)18-6-5-13-10-7-12-8-11-14-15-16-17(10)11/h7-9,13H,1-6H2.
What are the key properties of N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine?
N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 248.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 62196313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).