4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine

C12H16N6O — CID 859200

IUPAC4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine
SMILESc1cc(-c2nnn(CCN3CCOCC3)n2)ccn1
InChIInChI=1S/C12H16N6O/c1-3-13-4-2-11(1)12-14-16-18(15-12)6-5-17-7-9-19-10-8-17/h1-4H,5-10H2
InChIKeyRHZFBPUAACADIY-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.07
Rot. Bonds4

About 4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine

4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine (PubChem CID 859200) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine
PubChem CID859200
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine
SMILESc1cc(-c2nnn(CCN3CCOCC3)n2)ccn1
InChIInChI=1S/C12H16N6O/c1-3-13-4-2-11(1)12-14-16-18(15-12)6-5-17-7-9-19-10-8-17/h1-4H,5-10H2
InChIKeyRHZFBPUAACADIY-UHFFFAOYSA-N
XLogP0.07
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine (CID 859200) is 4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine is c1cc(-c2nnn(CCN3CCOCC3)n2)ccn1.
What is the InChIKey of 4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine?
The InChIKey is RHZFBPUAACADIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-3-13-4-2-11(1)12-14-16-18(15-12)6-5-17-7-9-19-10-8-17/h1-4H,5-10H2.
What are the key properties of 4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine?
4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine has a molecular weight of 260.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine is sourced from PubChem (CID 859200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).