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

C15H19N5O2 — CID 75372684

IUPAC3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1COC2(CCN(c3nnnn3-c3ccccc3)CC2)O1
InChIInChI=1S/C15H19N5O2/c1-12-11-21-15(22-12)7-9-19(10-8-15)14-16-17-18-20(14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyHSPXCNSGJFLTNK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.39
Rot. Bonds2

About 3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane

3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 75372684) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID75372684
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1COC2(CCN(c3nnnn3-c3ccccc3)CC2)O1
InChIInChI=1S/C15H19N5O2/c1-12-11-21-15(22-12)7-9-19(10-8-15)14-16-17-18-20(14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyHSPXCNSGJFLTNK-UHFFFAOYSA-N
XLogP1.39
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 75372684) is 3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane is CC1COC2(CCN(c3nnnn3-c3ccccc3)CC2)O1.
What is the InChIKey of 3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is HSPXCNSGJFLTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-12-11-21-15(22-12)7-9-19(10-8-15)14-16-17-18-20(14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 301.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 75372684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).