4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine

C14H19N5O — CID 56717400

IUPAC4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine
SMILESc1cncc(-n2cnnc2CCCN2CCOCC2)c1
InChIInChI=1S/C14H19N5O/c1-3-13(11-15-5-1)19-12-16-17-14(19)4-2-6-18-7-9-20-10-8-18/h1,3,5,11-12H,2,4,6-10H2
InChIKeyVPJIOKSIRSIEGN-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.93
Rot. Bonds5

About 4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine

4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine (PubChem CID 56717400) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine
PubChem CID56717400
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine
SMILESc1cncc(-n2cnnc2CCCN2CCOCC2)c1
InChIInChI=1S/C14H19N5O/c1-3-13(11-15-5-1)19-12-16-17-14(19)4-2-6-18-7-9-20-10-8-18/h1,3,5,11-12H,2,4,6-10H2
InChIKeyVPJIOKSIRSIEGN-UHFFFAOYSA-N
XLogP0.93
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine?
The IUPAC name of 4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine (CID 56717400) is 4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine is c1cncc(-n2cnnc2CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine?
The InChIKey is VPJIOKSIRSIEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-13(11-15-5-1)19-12-16-17-14(19)4-2-6-18-7-9-20-10-8-18/h1,3,5,11-12H,2,4,6-10H2.
What are the key properties of 4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine?
4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine has a molecular weight of 273.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)propyl]morpholine is sourced from PubChem (CID 56717400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).