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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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).