4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine

C15H15N5O — CID 167055953

IUPAC4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine
SMILESc1ccc2c(c1)nnn2-c1cncc(N2CCOCC2)c1
InChIInChI=1S/C15H15N5O/c1-2-4-15-14(3-1)17-18-20(15)13-9-12(10-16-11-13)19-5-7-21-8-6-19/h1-4,9-11H,5-8H2
InChIKeyGZODSDFHPRHNBR-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.65
Rot. Bonds2

About 4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine

4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine (PubChem CID 167055953) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine
PubChem CID167055953
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine
SMILESc1ccc2c(c1)nnn2-c1cncc(N2CCOCC2)c1
InChIInChI=1S/C15H15N5O/c1-2-4-15-14(3-1)17-18-20(15)13-9-12(10-16-11-13)19-5-7-21-8-6-19/h1-4,9-11H,5-8H2
InChIKeyGZODSDFHPRHNBR-UHFFFAOYSA-N
XLogP1.65
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine (CID 167055953) is 4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine is c1ccc2c(c1)nnn2-c1cncc(N2CCOCC2)c1.
What is the InChIKey of 4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine?
The InChIKey is GZODSDFHPRHNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-4-15-14(3-1)17-18-20(15)13-9-12(10-16-11-13)19-5-7-21-8-6-19/h1-4,9-11H,5-8H2.
What are the key properties of 4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine?
4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine has a molecular weight of 281.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(benzotriazol-1-yl)-3-pyridinyl]morpholine is sourced from PubChem (CID 167055953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).