4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine

C14H19N5O — CID 46829346

IUPAC4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine
SMILESCC(C)(c1nnnn1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C14H19N5O/c1-14(2,18-8-10-20-11-9-18)13-15-16-17-19(13)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyXPRDPNGYJBNDST-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.23
Rot. Bonds3

About 4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine

4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine (PubChem CID 46829346) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine
PubChem CID46829346
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine
SMILESCC(C)(c1nnnn1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C14H19N5O/c1-14(2,18-8-10-20-11-9-18)13-15-16-17-19(13)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyXPRDPNGYJBNDST-UHFFFAOYSA-N
XLogP1.23
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine?
The IUPAC name of 4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine (CID 46829346) is 4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine.
What is the SMILES notation for 4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine?
The canonical SMILES for 4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine is CC(C)(c1nnnn1-c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine?
The InChIKey is XPRDPNGYJBNDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-14(2,18-8-10-20-11-9-18)13-15-16-17-19(13)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of 4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine?
4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine has a molecular weight of 273.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-phenyltetrazol-5-yl)propan-2-yl]morpholine is sourced from PubChem (CID 46829346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).