4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine

C10H15ClN4O — CID 171553521

IUPAC4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine
SMILESCc1nc(N2CCOC(C)(C)C2)nnc1Cl
InChIInChI=1S/C10H15ClN4O/c1-7-8(11)13-14-9(12-7)15-4-5-16-10(2,3)6-15/h4-6H2,1-3H3
InChIKeyAPMSINUOFFRTDL-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.45
Rot. Bonds1

About 4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine

4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine (PubChem CID 171553521) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine
PubChem CID171553521
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine
SMILESCc1nc(N2CCOC(C)(C)C2)nnc1Cl
InChIInChI=1S/C10H15ClN4O/c1-7-8(11)13-14-9(12-7)15-4-5-16-10(2,3)6-15/h4-6H2,1-3H3
InChIKeyAPMSINUOFFRTDL-UHFFFAOYSA-N
XLogP1.45
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine?
The IUPAC name of 4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine (CID 171553521) is 4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine is Cc1nc(N2CCOC(C)(C)C2)nnc1Cl.
What is the InChIKey of 4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine?
The InChIKey is APMSINUOFFRTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-7-8(11)13-14-9(12-7)15-4-5-16-10(2,3)6-15/h4-6H2,1-3H3.
What are the key properties of 4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine?
4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine has a molecular weight of 242.71 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 171553521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).