1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one

C20H21N7O — CID 648582

IUPAC1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(c1nnnn1-c1ccccc1)CC2
InChIInChI=1S/C20H21N7O/c28-18-20(26(15-21-18)16-7-3-1-4-8-16)11-13-25(14-12-20)19-22-23-24-27(19)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,28)
InChIKeyUZXBQWHIKJXDTC-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.60
Rot. Bonds3

About 1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one

1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 648582) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID648582
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(c1nnnn1-c1ccccc1)CC2
InChIInChI=1S/C20H21N7O/c28-18-20(26(15-21-18)16-7-3-1-4-8-16)11-13-25(14-12-20)19-22-23-24-27(19)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,28)
InChIKeyUZXBQWHIKJXDTC-UHFFFAOYSA-N
XLogP1.60
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 648582) is 1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(c1nnnn1-c1ccccc1)CC2.
What is the InChIKey of 1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is UZXBQWHIKJXDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c28-18-20(26(15-21-18)16-7-3-1-4-8-16)11-13-25(14-12-20)19-22-23-24-27(19)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,28).
What are the key properties of 1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one?
1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 375.44 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 648582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).