5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]

C16H25N7O — CID 136562981

IUPAC5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCC(C)(C)n1nnnc1CN1CCc2[nH]cnc2C12CCOCC2
InChIInChI=1S/C16H25N7O/c1-15(2,3)23-13(19-20-21-23)10-22-7-4-12-14(18-11-17-12)16(22)5-8-24-9-6-16/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyQUKSSFMSNVNUML-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.22
Rot. Bonds2

About 5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]

5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (PubChem CID 136562981) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].

Molecular Properties

Compound Name5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
PubChem CID136562981
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCC(C)(C)n1nnnc1CN1CCc2[nH]cnc2C12CCOCC2
InChIInChI=1S/C16H25N7O/c1-15(2,3)23-13(19-20-21-23)10-22-7-4-12-14(18-11-17-12)16(22)5-8-24-9-6-16/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyQUKSSFMSNVNUML-UHFFFAOYSA-N
XLogP1.22
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The IUPAC name of 5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (CID 136562981) is 5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].
What is the SMILES notation for 5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The canonical SMILES for 5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is CC(C)(C)n1nnnc1CN1CCc2[nH]cnc2C12CCOCC2.
What is the InChIKey of 5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The InChIKey is QUKSSFMSNVNUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-15(2,3)23-13(19-20-21-23)10-22-7-4-12-14(18-11-17-12)16(22)5-8-24-9-6-16/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] has a molecular weight of 331.42 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-tert-butyltetrazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is sourced from PubChem (CID 136562981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).