4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine

C11H13ClN6O — CID 62870214

IUPAC4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine
SMILESCC1CN(c2nc(Cl)nc(-n3cccn3)n2)CCO1
InChIInChI=1S/C11H13ClN6O/c1-8-7-17(5-6-19-8)10-14-9(12)15-11(16-10)18-4-2-3-13-18/h2-4,8H,5-7H2,1H3
InChIKeyJJWGAZJAEZSLAB-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.94
Rot. Bonds2

About 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine

4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine (PubChem CID 62870214) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine
PubChem CID62870214
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine
SMILESCC1CN(c2nc(Cl)nc(-n3cccn3)n2)CCO1
InChIInChI=1S/C11H13ClN6O/c1-8-7-17(5-6-19-8)10-14-9(12)15-11(16-10)18-4-2-3-13-18/h2-4,8H,5-7H2,1H3
InChIKeyJJWGAZJAEZSLAB-UHFFFAOYSA-N
XLogP0.94
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane
CID 62869697
2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
CID 62862834
2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
CID 103500945
4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 55124481
2-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931341
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864402
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide
CID 62865159
4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80824389
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one
CID 62868187
4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 62967640
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 67190024
4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764638

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine?
The IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine (CID 62870214) is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine.
What is the SMILES notation for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine?
The canonical SMILES for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine is CC1CN(c2nc(Cl)nc(-n3cccn3)n2)CCO1.
What is the InChIKey of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine?
The InChIKey is JJWGAZJAEZSLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c1-8-7-17(5-6-19-8)10-14-9(12)15-11(16-10)18-4-2-3-13-18/h2-4,8H,5-7H2,1H3.
What are the key properties of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine?
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine has a molecular weight of 280.72 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine is sourced from PubChem (CID 62870214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).