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

C11H15N7O — CID 141123869

IUPAC4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine
SMILESc1ncc(-c2nnn(CCN3CCOCC3)n2)cn1
InChIInChI=1S/C11H15N7O/c1(17-3-5-19-6-4-17)2-18-15-11(14-16-18)10-7-12-9-13-8-10/h7-9H,1-6H2
InChIKeyKJPIGZKEXKALEC-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.54
Rot. Bonds4

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

4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine (PubChem CID 141123869) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine
PubChem CID141123869
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine
SMILESc1ncc(-c2nnn(CCN3CCOCC3)n2)cn1
InChIInChI=1S/C11H15N7O/c1(17-3-5-19-6-4-17)2-18-15-11(14-16-18)10-7-12-9-13-8-10/h7-9H,1-6H2
InChIKeyKJPIGZKEXKALEC-UHFFFAOYSA-N
XLogP-0.54
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine (CID 141123869) is 4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine is c1ncc(-c2nnn(CCN3CCOCC3)n2)cn1.
What is the InChIKey of 4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine?
The InChIKey is KJPIGZKEXKALEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1(17-3-5-19-6-4-17)2-18-15-11(14-16-18)10-7-12-9-13-8-10/h7-9H,1-6H2.
What are the key properties of 4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine?
4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine has a molecular weight of 261.29 g/mol, XLogP of -0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-pyrimidin-5-yltetrazol-2-yl)ethyl]morpholine is sourced from PubChem (CID 141123869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).