1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one

C15H19N5O3 — CID 15508329

IUPAC1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one
SMILESO=c1n(CCCC2CCCC2)nnn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N5O3/c21-15-18(11-3-6-12-4-1-2-5-12)16-17-19(15)13-7-9-14(10-8-13)20(22)23/h7-10,12H,1-6,11H2
InChIKeyIEKFEUCREDNXAZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.31
Rot. Bonds6

About 1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one

1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one (PubChem CID 15508329) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one
PubChem CID15508329
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one
SMILESO=c1n(CCCC2CCCC2)nnn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N5O3/c21-15-18(11-3-6-12-4-1-2-5-12)16-17-19(15)13-7-9-14(10-8-13)20(22)23/h7-10,12H,1-6,11H2
InChIKeyIEKFEUCREDNXAZ-UHFFFAOYSA-N
XLogP2.31
TPSA95.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one?
The IUPAC name of 1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one (CID 15508329) is 1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one?
The canonical SMILES for 1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one is O=c1n(CCCC2CCCC2)nnn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one?
The InChIKey is IEKFEUCREDNXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c21-15-18(11-3-6-12-4-1-2-5-12)16-17-19(15)13-7-9-14(10-8-13)20(22)23/h7-10,12H,1-6,11H2.
What are the key properties of 1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one?
1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one has a molecular weight of 317.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-4-(4-nitrophenyl)tetrazol-5-one is sourced from PubChem (CID 15508329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).