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

C13H14N4O — CID 6401689

IUPAC4-(5-phenyl-1,2,4-triazin-3-yl)morpholine
SMILESc1ccc(-c2cnnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C13H14N4O/c1-2-4-11(5-3-1)12-10-14-16-13(15-12)17-6-8-18-9-7-17/h1-5,10H,6-9H2
InChIKeyGOMOSVQPZNJWNS-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.38
Rot. Bonds2

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

4-(5-phenyl-1,2,4-triazin-3-yl)morpholine (PubChem CID 6401689) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(5-phenyl-1,2,4-triazin-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-phenyl-1,2,4-triazin-3-yl)morpholine
PubChem CID6401689
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-(5-phenyl-1,2,4-triazin-3-yl)morpholine
SMILESc1ccc(-c2cnnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C13H14N4O/c1-2-4-11(5-3-1)12-10-14-16-13(15-12)17-6-8-18-9-7-17/h1-5,10H,6-9H2
InChIKeyGOMOSVQPZNJWNS-UHFFFAOYSA-N
XLogP1.38
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,2,4-triazin-3-yl)morpholine?
The IUPAC name of 4-(5-phenyl-1,2,4-triazin-3-yl)morpholine (CID 6401689) is 4-(5-phenyl-1,2,4-triazin-3-yl)morpholine.
What is the SMILES notation for 4-(5-phenyl-1,2,4-triazin-3-yl)morpholine?
The canonical SMILES for 4-(5-phenyl-1,2,4-triazin-3-yl)morpholine is c1ccc(-c2cnnc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-(5-phenyl-1,2,4-triazin-3-yl)morpholine?
The InChIKey is GOMOSVQPZNJWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-4-11(5-3-1)12-10-14-16-13(15-12)17-6-8-18-9-7-17/h1-5,10H,6-9H2.
What are the key properties of 4-(5-phenyl-1,2,4-triazin-3-yl)morpholine?
4-(5-phenyl-1,2,4-triazin-3-yl)morpholine has a molecular weight of 242.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,2,4-triazin-3-yl)morpholine is sourced from PubChem (CID 6401689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).