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

C12H15ClN6O — CID 62862867

IUPAC4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H15ClN6O/c1-12(2)8-20-7-6-18(12)10-15-9(13)16-11(17-10)19-5-3-4-14-19/h3-5H,6-8H2,1-2H3
InChIKeyKDKGSOMXPDANEP-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.33
Rot. Bonds2

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

4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine (PubChem CID 62862867) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine
PubChem CID62862867
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H15ClN6O/c1-12(2)8-20-7-6-18(12)10-15-9(13)16-11(17-10)19-5-3-4-14-19/h3-5H,6-8H2,1-2H3
InChIKeyKDKGSOMXPDANEP-UHFFFAOYSA-N
XLogP1.33
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine?
The IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine (CID 62862867) is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine.
What is the SMILES notation for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine?
The canonical SMILES for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine is CC1(C)COCCN1c1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine?
The InChIKey is KDKGSOMXPDANEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-12(2)8-20-7-6-18(12)10-15-9(13)16-11(17-10)19-5-3-4-14-19/h3-5H,6-8H2,1-2H3.
What are the key properties of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine?
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylmorpholine has a molecular weight of 294.75 g/mol, XLogP of 1.33, 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)-3,3-dimethylmorpholine is sourced from PubChem (CID 62862867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).