6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one

C14H24N6O2 — CID 147974984

IUPAC6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one
SMILESCC(C)N1CCN(c2nc(N3CCOCC3)[nH]c(=O)n2)CC1
InChIInChI=1S/C14H24N6O2/c1-11(2)18-3-5-19(6-4-18)12-15-13(17-14(21)16-12)20-7-9-22-10-8-20/h11H,3-10H2,1-2H3,(H,15,16,17,21)
InChIKeyISCIEGSGAKGBIX-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.47
Rot. Bonds3

About 6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one

6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one (PubChem CID 147974984) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one
PubChem CID147974984
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one
SMILESCC(C)N1CCN(c2nc(N3CCOCC3)[nH]c(=O)n2)CC1
InChIInChI=1S/C14H24N6O2/c1-11(2)18-3-5-19(6-4-18)12-15-13(17-14(21)16-12)20-7-9-22-10-8-20/h11H,3-10H2,1-2H3,(H,15,16,17,21)
InChIKeyISCIEGSGAKGBIX-UHFFFAOYSA-N
XLogP-0.47
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one (CID 147974984) is 6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one is CC(C)N1CCN(c2nc(N3CCOCC3)[nH]c(=O)n2)CC1.
What is the InChIKey of 6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one?
The InChIKey is ISCIEGSGAKGBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-11(2)18-3-5-19(6-4-18)12-15-13(17-14(21)16-12)20-7-9-22-10-8-20/h11H,3-10H2,1-2H3,(H,15,16,17,21).
What are the key properties of 6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one?
6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one has a molecular weight of 308.39 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4-(4-propan-2-ylpiperazin-1-yl)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 147974984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).