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

C12H15ClN6O — CID 62864402

IUPAC4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
SMILESCCC1COCCN1c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H15ClN6O/c1-2-9-8-20-7-6-18(9)11-15-10(13)16-12(17-11)19-5-3-4-14-19/h3-5,9H,2,6-8H2,1H3
InChIKeyVGDOIKZGYXRTAG-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.33
Rot. Bonds3

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

4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine (PubChem CID 62864402) 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-ethylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
PubChem CID62864402
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-ethylmorpholine
SMILESCCC1COCCN1c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H15ClN6O/c1-2-9-8-20-7-6-18(9)11-15-10(13)16-12(17-11)19-5-3-4-14-19/h3-5,9H,2,6-8H2,1H3
InChIKeyVGDOIKZGYXRTAG-UHFFFAOYSA-N
XLogP1.33
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
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-ethylmorpholine?
The IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine (CID 62864402) is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine.
What is the SMILES notation for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine?
The canonical SMILES for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine is CCC1COCCN1c1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine?
The InChIKey is VGDOIKZGYXRTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-2-9-8-20-7-6-18(9)11-15-10(13)16-12(17-11)19-5-3-4-14-19/h3-5,9H,2,6-8H2,1H3.
What are the key properties of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine?
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine has a molecular weight of 294.75 g/mol, XLogP of 1.33, 3 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-ethylmorpholine is sourced from PubChem (CID 62864402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).