4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C14H18BrN7O2 — CID 1227312

IUPAC4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESBrc1cnn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C14H18BrN7O2/c15-11-9-16-22(10-11)14-18-12(20-1-5-23-6-2-20)17-13(19-14)21-3-7-24-8-4-21/h9-10H,1-8H2
InChIKeyIQQUOCZYOASSCG-UHFFFAOYSA-N
MW396.25 g/mol
LogP0.49
Rot. Bonds3

About 4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 1227312) has the molecular formula C14H18BrN7O2 and a molecular weight of 396.25 g/mol. Its IUPAC name is 4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID1227312
Molecular FormulaC14H18BrN7O2
Molecular Weight396.25 g/mol
Exact Mass395.07
IUPAC Name4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESBrc1cnn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C14H18BrN7O2/c15-11-9-16-22(10-11)14-18-12(20-1-5-23-6-2-20)17-13(19-14)21-3-7-24-8-4-21/h9-10H,1-8H2
InChIKeyIQQUOCZYOASSCG-UHFFFAOYSA-N
XLogP0.49
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 1227312) is 4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is Brc1cnn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is IQQUOCZYOASSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN7O2/c15-11-9-16-22(10-11)14-18-12(20-1-5-23-6-2-20)17-13(19-14)21-3-7-24-8-4-21/h9-10H,1-8H2.
What are the key properties of 4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 396.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromopyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 1227312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).