1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine

C17H19N5O2 — CID 110242580

IUPAC1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine
SMILESc1ccc(-c2cc(CNCC3COCCO3)c3nnnn3c2)cc1
InChIInChI=1S/C17H19N5O2/c1-2-4-13(5-3-1)15-8-14(17-19-20-21-22(17)11-15)9-18-10-16-12-23-6-7-24-16/h1-5,8,11,16,18H,6-7,9-10,12H2
InChIKeyLWNQDOGZJPQXDQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.30
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine

1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine (PubChem CID 110242580) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine
PubChem CID110242580
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine
SMILESc1ccc(-c2cc(CNCC3COCCO3)c3nnnn3c2)cc1
InChIInChI=1S/C17H19N5O2/c1-2-4-13(5-3-1)15-8-14(17-19-20-21-22(17)11-15)9-18-10-16-12-23-6-7-24-16/h1-5,8,11,16,18H,6-7,9-10,12H2
InChIKeyLWNQDOGZJPQXDQ-UHFFFAOYSA-N
XLogP1.30
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine with MolForge

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Related Compounds

1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]methanamine
CID 95852032
N-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 45218162
1-[(2R)-1,4-dioxan-2-yl]-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 95152409
4-[(1,4-dioxan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 54907352
1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60960687
N-[(2,3-difluorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 61024974
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 115761843
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-1-[(2S)-1,4-dioxan-2-yl]methanamine
CID 26322474
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 54893724
1-(1,4-dioxan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
CID 55080860
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 79579425
N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 60961630

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine (CID 110242580) is 1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine is c1ccc(-c2cc(CNCC3COCCO3)c3nnnn3c2)cc1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine?
The InChIKey is LWNQDOGZJPQXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-4-13(5-3-1)15-8-14(17-19-20-21-22(17)11-15)9-18-10-16-12-23-6-7-24-16/h1-5,8,11,16,18H,6-7,9-10,12H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine?
1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine has a molecular weight of 325.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]methanamine is sourced from PubChem (CID 110242580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).