1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine

C15H16N6O — CID 69152982

IUPAC1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine
SMILESCOc1cc(-n2nnc(-c3ccccn3)n2)ccc1C(C)N
InChIInChI=1S/C15H16N6O/c1-10(16)12-7-6-11(9-14(12)22-2)21-19-15(18-20-21)13-5-3-4-8-17-13/h3-10H,16H2,1-2H3
InChIKeyMMEDXXDAOGYUIT-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.75
Rot. Bonds4

About 1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine

1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine (PubChem CID 69152982) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine
PubChem CID69152982
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine
SMILESCOc1cc(-n2nnc(-c3ccccn3)n2)ccc1C(C)N
InChIInChI=1S/C15H16N6O/c1-10(16)12-7-6-11(9-14(12)22-2)21-19-15(18-20-21)13-5-3-4-8-17-13/h3-10H,16H2,1-2H3
InChIKeyMMEDXXDAOGYUIT-UHFFFAOYSA-N
XLogP1.75
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine (CID 69152982) is 1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine is COc1cc(-n2nnc(-c3ccccn3)n2)ccc1C(C)N.
What is the InChIKey of 1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine?
The InChIKey is MMEDXXDAOGYUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-10(16)12-7-6-11(9-14(12)22-2)21-19-15(18-20-21)13-5-3-4-8-17-13/h3-10H,16H2,1-2H3.
What are the key properties of 1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine?
1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine has a molecular weight of 296.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 69152982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).