2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone

C11H19N7O — CID 56760703

IUPAC2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone
SMILESNc1nnnn1CC(=O)N1CCCC2(CCNC2)C1
InChIInChI=1S/C11H19N7O/c12-10-14-15-16-18(10)6-9(19)17-5-1-2-11(8-17)3-4-13-7-11/h13H,1-8H2,(H2,12,14,16)
InChIKeyNGVPFDAHLJDPCL-UHFFFAOYSA-N
MW265.32 g/mol
LogP-1.14
Rot. Bonds2

About 2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone

2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone (PubChem CID 56760703) has the molecular formula C11H19N7O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone
PubChem CID56760703
Molecular FormulaC11H19N7O
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone
SMILESNc1nnnn1CC(=O)N1CCCC2(CCNC2)C1
InChIInChI=1S/C11H19N7O/c12-10-14-15-16-18(10)6-9(19)17-5-1-2-11(8-17)3-4-13-7-11/h13H,1-8H2,(H2,12,14,16)
InChIKeyNGVPFDAHLJDPCL-UHFFFAOYSA-N
XLogP-1.14
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone (CID 56760703) is 2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone is Nc1nnnn1CC(=O)N1CCCC2(CCNC2)C1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone?
The InChIKey is NGVPFDAHLJDPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O/c12-10-14-15-16-18(10)6-9(19)17-5-1-2-11(8-17)3-4-13-7-11/h13H,1-8H2,(H2,12,14,16).
What are the key properties of 2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone?
2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone has a molecular weight of 265.32 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone is sourced from PubChem (CID 56760703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).