4-[(1-phenyltetrazol-5-yl)methyl]morpholine

C12H15N5O — CID 3029444

IUPAC4-[(1-phenyltetrazol-5-yl)methyl]morpholine
SMILESc1ccc(-n2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C12H15N5O/c1-2-4-11(5-3-1)17-12(13-14-15-17)10-16-6-8-18-9-7-16/h1-5H,6-10H2
InChIKeyIOBMFBXPJUNEJJ-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.49
Rot. Bonds3

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

4-[(1-phenyltetrazol-5-yl)methyl]morpholine (PubChem CID 3029444) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-[(1-phenyltetrazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-phenyltetrazol-5-yl)methyl]morpholine
PubChem CID3029444
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-[(1-phenyltetrazol-5-yl)methyl]morpholine
SMILESc1ccc(-n2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C12H15N5O/c1-2-4-11(5-3-1)17-12(13-14-15-17)10-16-6-8-18-9-7-16/h1-5H,6-10H2
InChIKeyIOBMFBXPJUNEJJ-UHFFFAOYSA-N
XLogP0.49
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenyltetrazol-5-yl)methyl]morpholine?
The IUPAC name of 4-[(1-phenyltetrazol-5-yl)methyl]morpholine (CID 3029444) is 4-[(1-phenyltetrazol-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-phenyltetrazol-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-phenyltetrazol-5-yl)methyl]morpholine is c1ccc(-n2nnnc2CN2CCOCC2)cc1.
What is the InChIKey of 4-[(1-phenyltetrazol-5-yl)methyl]morpholine?
The InChIKey is IOBMFBXPJUNEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-4-11(5-3-1)17-12(13-14-15-17)10-16-6-8-18-9-7-16/h1-5H,6-10H2.
What are the key properties of 4-[(1-phenyltetrazol-5-yl)methyl]morpholine?
4-[(1-phenyltetrazol-5-yl)methyl]morpholine has a molecular weight of 245.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenyltetrazol-5-yl)methyl]morpholine is sourced from PubChem (CID 3029444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).