4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine

C16H22N6O — CID 655611

IUPAC4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
SMILESc1cc(C(c2nnnn2C2CCCC2)N2CCOCC2)ccn1
InChIInChI=1S/C16H22N6O/c1-2-4-14(3-1)22-16(18-19-20-22)15(13-5-7-17-8-6-13)21-9-11-23-12-10-21/h5-8,14-15H,1-4,9-12H2
InChIKeyJEKVVIFIZUGAPB-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.60
Rot. Bonds4

About 4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine

4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine (PubChem CID 655611) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
PubChem CID655611
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
SMILESc1cc(C(c2nnnn2C2CCCC2)N2CCOCC2)ccn1
InChIInChI=1S/C16H22N6O/c1-2-4-14(3-1)22-16(18-19-20-22)15(13-5-7-17-8-6-13)21-9-11-23-12-10-21/h5-8,14-15H,1-4,9-12H2
InChIKeyJEKVVIFIZUGAPB-UHFFFAOYSA-N
XLogP1.60
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine?
The IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine (CID 655611) is 4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine.
What is the SMILES notation for 4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine?
The canonical SMILES for 4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine is c1cc(C(c2nnnn2C2CCCC2)N2CCOCC2)ccn1.
What is the InChIKey of 4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine?
The InChIKey is JEKVVIFIZUGAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-2-4-14(3-1)22-16(18-19-20-22)15(13-5-7-17-8-6-13)21-9-11-23-12-10-21/h5-8,14-15H,1-4,9-12H2.
What are the key properties of 4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine?
4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine has a molecular weight of 314.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine is sourced from PubChem (CID 655611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).