2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine

C9H11N5O — CID 136514632

IUPAC2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine
SMILESCOc1cccc(Cn2nnnc2C)n1
InChIInChI=1S/C9H11N5O/c1-7-11-12-13-14(7)6-8-4-3-5-9(10-8)15-2/h3-5H,6H2,1-2H3
InChIKeyZMHGFHSXBXKXEF-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.43
Rot. Bonds3

About 2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine

2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine (PubChem CID 136514632) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine
PubChem CID136514632
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine
SMILESCOc1cccc(Cn2nnnc2C)n1
InChIInChI=1S/C9H11N5O/c1-7-11-12-13-14(7)6-8-4-3-5-9(10-8)15-2/h3-5H,6H2,1-2H3
InChIKeyZMHGFHSXBXKXEF-UHFFFAOYSA-N
XLogP0.43
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine?
The IUPAC name of 2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine (CID 136514632) is 2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine is COc1cccc(Cn2nnnc2C)n1.
What is the InChIKey of 2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine?
The InChIKey is ZMHGFHSXBXKXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-7-11-12-13-14(7)6-8-4-3-5-9(10-8)15-2/h3-5H,6H2,1-2H3.
What are the key properties of 2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine?
2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine has a molecular weight of 205.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 136514632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).