1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole

C14H16N6O4Se — CID 90683068

IUPAC1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole
SMILESO=[N+]([O-])c1ccc(C[Se]c2nnnn2C2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N6O4Se/c21-19(22)12-7-6-10(13(8-12)20(23)24)9-25-14-15-16-17-18(14)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyCWFHUQGGIDRYGO-UHFFFAOYSA-N
MW411.28 g/mol
LogP1.52
Rot. Bonds6

About 1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole

1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole (PubChem CID 90683068) has the molecular formula C14H16N6O4Se and a molecular weight of 411.28 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole
PubChem CID90683068
Molecular FormulaC14H16N6O4Se
Molecular Weight411.28 g/mol
Exact Mass412.04
IUPAC Name1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole
SMILESO=[N+]([O-])c1ccc(C[Se]c2nnnn2C2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N6O4Se/c21-19(22)12-7-6-10(13(8-12)20(23)24)9-25-14-15-16-17-18(14)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyCWFHUQGGIDRYGO-UHFFFAOYSA-N
XLogP1.52
TPSA129.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 90683127
CID 90683127
CID 90683069
CID 90683069
CID 90683070
CID 90683070
CID 90683071
CID 90683071
CID 90683118
CID 90683118
CID 137659668
CID 137659668
CID 122191485
CID 122191485
CID 122191501
CID 122191501
CID 122191504
CID 122191504
CID 122191523
CID 122191523
CID 122191484
CID 122191484
CID 122191487
CID 122191487

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole?
The IUPAC name of 1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole (CID 90683068) is 1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole.
What is the SMILES notation for 1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole?
The canonical SMILES for 1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole is O=[N+]([O-])c1ccc(C[Se]c2nnnn2C2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole?
The InChIKey is CWFHUQGGIDRYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O4Se/c21-19(22)12-7-6-10(13(8-12)20(23)24)9-25-14-15-16-17-18(14)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2.
What are the key properties of 1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole?
1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole has a molecular weight of 411.28 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(2,4-dinitrophenyl)methylselanyl]tetrazole is sourced from PubChem (CID 90683068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).