8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C14H17N5O2 — CID 75365658

IUPAC8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(-n2nnnc2N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H17N5O2/c1-2-4-12(5-3-1)19-13(15-16-17-19)18-8-6-14(7-9-18)20-10-11-21-14/h1-5H,6-11H2
InChIKeyMEFCYVZHWOOXNQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.01
Rot. Bonds2

About 8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 75365658) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID75365658
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(-n2nnnc2N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H17N5O2/c1-2-4-12(5-3-1)19-13(15-16-17-19)18-8-6-14(7-9-18)20-10-11-21-14/h1-5H,6-11H2
InChIKeyMEFCYVZHWOOXNQ-UHFFFAOYSA-N
XLogP1.01
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 75365658) is 8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(-n2nnnc2N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is MEFCYVZHWOOXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-4-12(5-3-1)19-13(15-16-17-19)18-8-6-14(7-9-18)20-10-11-21-14/h1-5H,6-11H2.
What are the key properties of 8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 287.32 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 75365658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).