5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]

C17H26N6O — CID 138025113

IUPAC5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCCCn1c(C)nnc1CN1CCc2[nH]cnc2C12CCOCC2
InChIInChI=1S/C17H26N6O/c1-3-7-23-13(2)20-21-15(23)11-22-8-4-14-16(19-12-18-14)17(22)5-9-24-10-6-17/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyYQXXLNDWXASOJB-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.78
Rot. Bonds4

About 5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]

5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (PubChem CID 138025113) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].

Molecular Properties

Compound Name5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
PubChem CID138025113
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCCCn1c(C)nnc1CN1CCc2[nH]cnc2C12CCOCC2
InChIInChI=1S/C17H26N6O/c1-3-7-23-13(2)20-21-15(23)11-22-8-4-14-16(19-12-18-14)17(22)5-9-24-10-6-17/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyYQXXLNDWXASOJB-UHFFFAOYSA-N
XLogP1.78
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The IUPAC name of 5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (CID 138025113) is 5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].
What is the SMILES notation for 5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The canonical SMILES for 5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is CCCn1c(C)nnc1CN1CCc2[nH]cnc2C12CCOCC2.
What is the InChIKey of 5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The InChIKey is YQXXLNDWXASOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-3-7-23-13(2)20-21-15(23)11-22-8-4-14-16(19-12-18-14)17(22)5-9-24-10-6-17/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] has a molecular weight of 330.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is sourced from PubChem (CID 138025113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).