4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine

C17H17N5O — CID 2324392

IUPAC4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine
SMILESc1ccc(-n2c(-c3ccncc3)nnc2N2CCOCC2)cc1
InChIInChI=1S/C17H17N5O/c1-2-4-15(5-3-1)22-16(14-6-8-18-9-7-14)19-20-17(22)21-10-12-23-13-11-21/h1-9H,10-13H2
InChIKeyQJTFBCMLNWIGOM-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.17
Rot. Bonds3

About 4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine

4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine (PubChem CID 2324392) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine
PubChem CID2324392
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine
SMILESc1ccc(-n2c(-c3ccncc3)nnc2N2CCOCC2)cc1
InChIInChI=1S/C17H17N5O/c1-2-4-15(5-3-1)22-16(14-6-8-18-9-7-14)19-20-17(22)21-10-12-23-13-11-21/h1-9H,10-13H2
InChIKeyQJTFBCMLNWIGOM-UHFFFAOYSA-N
XLogP2.17
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine (CID 2324392) is 4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine is c1ccc(-n2c(-c3ccncc3)nnc2N2CCOCC2)cc1.
What is the InChIKey of 4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is QJTFBCMLNWIGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-4-15(5-3-1)22-16(14-6-8-18-9-7-14)19-20-17(22)21-10-12-23-13-11-21/h1-9H,10-13H2.
What are the key properties of 4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine?
4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 307.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 2324392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).