4-[4-(2H-tetrazol-5-yl)phenyl]morpholine

C11H13N5O — CID 863212

IUPAC4-[4-(2H-tetrazol-5-yl)phenyl]morpholine
SMILESc1cc(N2CCOCC2)ccc1-c1nn[nH]n1
InChIInChI=1S/C11H13N5O/c1-3-10(16-5-7-17-8-6-16)4-2-9(1)11-12-14-15-13-11/h1-4H,5-8H2,(H,12,13,14,15)
InChIKeyXKKXDXCQTPLRKA-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.70
Rot. Bonds2

About 4-[4-(2H-tetrazol-5-yl)phenyl]morpholine

4-[4-(2H-tetrazol-5-yl)phenyl]morpholine (PubChem CID 863212) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-[4-(2H-tetrazol-5-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(2H-tetrazol-5-yl)phenyl]morpholine
PubChem CID863212
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-[4-(2H-tetrazol-5-yl)phenyl]morpholine
SMILESc1cc(N2CCOCC2)ccc1-c1nn[nH]n1
InChIInChI=1S/C11H13N5O/c1-3-10(16-5-7-17-8-6-16)4-2-9(1)11-12-14-15-13-11/h1-4H,5-8H2,(H,12,13,14,15)
InChIKeyXKKXDXCQTPLRKA-UHFFFAOYSA-N
XLogP0.70
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2H-tetrazol-5-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(2H-tetrazol-5-yl)phenyl]morpholine (CID 863212) is 4-[4-(2H-tetrazol-5-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(2H-tetrazol-5-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(2H-tetrazol-5-yl)phenyl]morpholine is c1cc(N2CCOCC2)ccc1-c1nn[nH]n1.
What is the InChIKey of 4-[4-(2H-tetrazol-5-yl)phenyl]morpholine?
The InChIKey is XKKXDXCQTPLRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-3-10(16-5-7-17-8-6-16)4-2-9(1)11-12-14-15-13-11/h1-4H,5-8H2,(H,12,13,14,15).
What are the key properties of 4-[4-(2H-tetrazol-5-yl)phenyl]morpholine?
4-[4-(2H-tetrazol-5-yl)phenyl]morpholine has a molecular weight of 231.26 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2H-tetrazol-5-yl)phenyl]morpholine is sourced from PubChem (CID 863212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).