2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine

C16H19ClN4O — CID 122147461

IUPAC2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine
SMILESCc1nnc(N2CC(c3cccc(Cl)c3)OCC2C)nc1C
InChIInChI=1S/C16H19ClN4O/c1-10-9-22-15(13-5-4-6-14(17)7-13)8-21(10)16-18-11(2)12(3)19-20-16/h4-7,10,15H,8-9H2,1-3H3
InChIKeyHTNQBMQNXQRPHY-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.11
Rot. Bonds2

About 2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine

2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine (PubChem CID 122147461) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine
PubChem CID122147461
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine
SMILESCc1nnc(N2CC(c3cccc(Cl)c3)OCC2C)nc1C
InChIInChI=1S/C16H19ClN4O/c1-10-9-22-15(13-5-4-6-14(17)7-13)8-21(10)16-18-11(2)12(3)19-20-16/h4-7,10,15H,8-9H2,1-3H3
InChIKeyHTNQBMQNXQRPHY-UHFFFAOYSA-N
XLogP3.11
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine?
The IUPAC name of 2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine (CID 122147461) is 2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine?
The canonical SMILES for 2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine is Cc1nnc(N2CC(c3cccc(Cl)c3)OCC2C)nc1C.
What is the InChIKey of 2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine?
The InChIKey is HTNQBMQNXQRPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10-9-22-15(13-5-4-6-14(17)7-13)8-21(10)16-18-11(2)12(3)19-20-16/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine?
2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine has a molecular weight of 318.81 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine is sourced from PubChem (CID 122147461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).