1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole

C20H24N4O — CID 12852452

IUPAC1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole
SMILESc1ccc2cc(OCCCc3nnnn3C3CCCCC3)ccc2c1
InChIInChI=1S/C20H24N4O/c1-2-9-18(10-3-1)24-20(21-22-23-24)11-6-14-25-19-13-12-16-7-4-5-8-17(16)15-19/h4-5,7-8,12-13,15,18H,1-3,6,9-11,14H2
InChIKeyNDOXXNRGRVISHK-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.34
Rot. Bonds6

About 1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole

1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole (PubChem CID 12852452) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole
PubChem CID12852452
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole
SMILESc1ccc2cc(OCCCc3nnnn3C3CCCCC3)ccc2c1
InChIInChI=1S/C20H24N4O/c1-2-9-18(10-3-1)24-20(21-22-23-24)11-6-14-25-19-13-12-16-7-4-5-8-17(16)15-19/h4-5,7-8,12-13,15,18H,1-3,6,9-11,14H2
InChIKeyNDOXXNRGRVISHK-UHFFFAOYSA-N
XLogP4.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole?
The IUPAC name of 1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole (CID 12852452) is 1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole.
What is the SMILES notation for 1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole?
The canonical SMILES for 1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole is c1ccc2cc(OCCCc3nnnn3C3CCCCC3)ccc2c1.
What is the InChIKey of 1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole?
The InChIKey is NDOXXNRGRVISHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-9-18(10-3-1)24-20(21-22-23-24)11-6-14-25-19-13-12-16-7-4-5-8-17(16)15-19/h4-5,7-8,12-13,15,18H,1-3,6,9-11,14H2.
What are the key properties of 1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole?
1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole has a molecular weight of 336.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole is sourced from PubChem (CID 12852452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).