4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine

C19H18N4O — CID 2842253

IUPAC4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine
SMILESc1ccc(-c2nnc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H18N4O/c1-3-7-15(8-4-1)17-18(16-9-5-2-6-10-16)21-22-19(20-17)23-11-13-24-14-12-23/h1-10H,11-14H2
InChIKeyXAYFWWVZSYKDIS-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.04
Rot. Bonds3

About 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine

4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine (PubChem CID 2842253) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine.

Molecular Properties

Compound Name4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine
PubChem CID2842253
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine
SMILESc1ccc(-c2nnc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H18N4O/c1-3-7-15(8-4-1)17-18(16-9-5-2-6-10-16)21-22-19(20-17)23-11-13-24-14-12-23/h1-10H,11-14H2
InChIKeyXAYFWWVZSYKDIS-UHFFFAOYSA-N
XLogP3.04
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine?
The IUPAC name of 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine (CID 2842253) is 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine.
What is the SMILES notation for 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine?
The canonical SMILES for 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine is c1ccc(-c2nnc(N3CCOCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine?
The InChIKey is XAYFWWVZSYKDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-3-7-15(8-4-1)17-18(16-9-5-2-6-10-16)21-22-19(20-17)23-11-13-24-14-12-23/h1-10H,11-14H2.
What are the key properties of 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine?
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine has a molecular weight of 318.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine is sourced from PubChem (CID 2842253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).