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

C24H29N7O — CID 51360812

IUPAC8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCC(c1nnnn1Cc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C24H29N7O/c1-2-21(22-26-27-28-31(22)17-19-9-5-3-6-10-19)29-15-13-24(14-16-29)23(32)25-18-30(24)20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3,(H,25,32)
InChIKeyMBROEKYLYYCEBX-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.60
Rot. Bonds6

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

8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 51360812) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID51360812
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCC(c1nnnn1Cc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C24H29N7O/c1-2-21(22-26-27-28-31(22)17-19-9-5-3-6-10-19)29-15-13-24(14-16-29)23(32)25-18-30(24)20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3,(H,25,32)
InChIKeyMBROEKYLYYCEBX-UHFFFAOYSA-N
XLogP2.60
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 51360812) is 8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CCC(c1nnnn1Cc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is MBROEKYLYYCEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-2-21(22-26-27-28-31(22)17-19-9-5-3-6-10-19)29-15-13-24(14-16-29)23(32)25-18-30(24)20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3,(H,25,32).
What are the key properties of 8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 431.54 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(1-benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 51360812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).