8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C17H25N9O2 — CID 72850681

IUPAC8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESNc1nnnn1CC(=O)N1CCCC2(CCC(=O)N(CCc3cnc[nH]3)C2)C1
InChIInChI=1S/C17H25N9O2/c18-16-21-22-23-26(16)9-15(28)24-6-1-4-17(10-24)5-2-14(27)25(11-17)7-3-13-8-19-12-20-13/h8,12H,1-7,9-11H2,(H,19,20)(H2,18,21,23)
InChIKeyGDXZMVNOYVRBIN-UHFFFAOYSA-N
MW387.45 g/mol
LogP-0.55
Rot. Bonds5

About 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72850681) has the molecular formula C17H25N9O2 and a molecular weight of 387.45 g/mol. Its IUPAC name is 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72850681
Molecular FormulaC17H25N9O2
Molecular Weight387.45 g/mol
Exact Mass387.21
IUPAC Name8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESNc1nnnn1CC(=O)N1CCCC2(CCC(=O)N(CCc3cnc[nH]3)C2)C1
InChIInChI=1S/C17H25N9O2/c18-16-21-22-23-26(16)9-15(28)24-6-1-4-17(10-24)5-2-14(27)25(11-17)7-3-13-8-19-12-20-13/h8,12H,1-7,9-11H2,(H,19,20)(H2,18,21,23)
InChIKeyGDXZMVNOYVRBIN-UHFFFAOYSA-N
XLogP-0.55
TPSA138.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(5-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97145545
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(5-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97145546
8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72906610
(6S)-8-(2-cyclopentylacetyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97113570
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96581260
butyl (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 96573403
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[3-(1,2,4-triazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97272075
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96579307
2-[(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetic acid
CID 96573844
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97122235
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113026
8-(4-fluorobenzoyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72847294

Frequently Asked Questions

What is the IUPAC name of 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 72850681) is 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is Nc1nnnn1CC(=O)N1CCCC2(CCC(=O)N(CCc3cnc[nH]3)C2)C1.
What is the InChIKey of 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is GDXZMVNOYVRBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N9O2/c18-16-21-22-23-26(16)9-15(28)24-6-1-4-17(10-24)5-2-14(27)25(11-17)7-3-13-8-19-12-20-13/h8,12H,1-7,9-11H2,(H,19,20)(H2,18,21,23).
What are the key properties of 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 387.45 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72850681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).