2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine

C9H9N5O — CID 118677003

IUPAC2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine
SMILESCc1nc(-n2cnnn2)ccc1[C@H]1CO1
InChIInChI=1S/C9H9N5O/c1-6-7(8-4-15-8)2-3-9(11-6)14-5-10-12-13-14/h2-3,5,8H,4H2,1H3/t8-/m1/s1
InChIKeyPAYJJQVHXWBTGH-MRVPVSSYSA-N
MW203.21 g/mol
LogP0.44
Rot. Bonds2

About 2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine

2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine (PubChem CID 118677003) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine
PubChem CID118677003
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine
SMILESCc1nc(-n2cnnn2)ccc1[C@H]1CO1
InChIInChI=1S/C9H9N5O/c1-6-7(8-4-15-8)2-3-9(11-6)14-5-10-12-13-14/h2-3,5,8H,4H2,1H3/t8-/m1/s1
InChIKeyPAYJJQVHXWBTGH-MRVPVSSYSA-N
XLogP0.44
TPSA69.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine
CID 144874122
2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane
CID 145074142
3-[(3S,9aR)-8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]acetyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-3-yl]-6-fluoro-2-methylbenzonitrile
CID 71603484
3-[(3R,9aS)-8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-3-yl]-6-fluoro-2-methylbenzonitrile
CID 71603422
2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine
CID 130474370
3-[(3R,9aS)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-3-yl]-6-fluoro-2-methylbenzonitrile
CID 86295926
3-[(3S,9aR)-8-[2-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-3-yl]-6-fluoro-2-methylbenzonitrile
CID 71511758
ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate
CID 67517354
6-fluoro-2-methyl-3-[8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-3-yl]benzonitrile
CID 78129485
1-[(3S,9aS)-3-(4-fluoro-3-isocyano-2-methylphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethanone
CID 122197825
1-tert-butyl-3-methyl-4-[(2R)-oxiran-2-yl]pyrazole
CID 83129370
4-(tetrazol-1-yl)pyrimidin-2-amine
CID 118272412

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine?
The IUPAC name of 2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine (CID 118677003) is 2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine.
What is the SMILES notation for 2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine?
The canonical SMILES for 2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine is Cc1nc(-n2cnnn2)ccc1[C@H]1CO1.
What is the InChIKey of 2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine?
The InChIKey is PAYJJQVHXWBTGH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-6-7(8-4-15-8)2-3-9(11-6)14-5-10-12-13-14/h2-3,5,8H,4H2,1H3/t8-/m1/s1.
What are the key properties of 2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine?
2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine has a molecular weight of 203.21 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2S)-oxiran-2-yl]-6-(tetrazol-1-yl)pyridine is sourced from PubChem (CID 118677003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).