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

C25H29N7O — CID 51360810

IUPAC8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C(c1nnnn1Cc1ccccc1)C1CC1)CC2
InChIInChI=1S/C25H29N7O/c33-24-25(31(18-26-24)21-9-5-2-6-10-21)13-15-30(16-14-25)22(20-11-12-20)23-27-28-29-32(23)17-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2,(H,26,33)
InChIKeyFBSPTKAJJVTTDD-UHFFFAOYSA-N
MW443.56 g/mol
LogP2.60
Rot. Bonds6

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

8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 51360810) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID51360810
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C(c1nnnn1Cc1ccccc1)C1CC1)CC2
InChIInChI=1S/C25H29N7O/c33-24-25(31(18-26-24)21-9-5-2-6-10-21)13-15-30(16-14-25)22(20-11-12-20)23-27-28-29-32(23)17-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2,(H,26,33)
InChIKeyFBSPTKAJJVTTDD-UHFFFAOYSA-N
XLogP2.60
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 51360810) is 8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C(c1nnnn1Cc1ccccc1)C1CC1)CC2.
What is the InChIKey of 8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is FBSPTKAJJVTTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c33-24-25(31(18-26-24)21-9-5-2-6-10-21)13-15-30(16-14-25)22(20-11-12-20)23-27-28-29-32(23)17-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2,(H,26,33).
What are the key properties of 8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 443.56 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-benzyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 51360810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).