3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one

C19H27N5O2 — CID 135561235

IUPAC3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one
SMILESCC(C)c1ccc(Cc2nnc(NCCN3CCOCC3)[nH]c2=O)cc1
InChIInChI=1S/C19H27N5O2/c1-14(2)16-5-3-15(4-6-16)13-17-18(25)21-19(23-22-17)20-7-8-24-9-11-26-12-10-24/h3-6,14H,7-13H2,1-2H3,(H2,20,21,23,25)
InChIKeyWYXOFUYYJGQHAB-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.62
Rot. Bonds7

About 3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one

3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one (PubChem CID 135561235) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one
PubChem CID135561235
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one
SMILESCC(C)c1ccc(Cc2nnc(NCCN3CCOCC3)[nH]c2=O)cc1
InChIInChI=1S/C19H27N5O2/c1-14(2)16-5-3-15(4-6-16)13-17-18(25)21-19(23-22-17)20-7-8-24-9-11-26-12-10-24/h3-6,14H,7-13H2,1-2H3,(H2,20,21,23,25)
InChIKeyWYXOFUYYJGQHAB-UHFFFAOYSA-N
XLogP1.62
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one (CID 135561235) is 3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one is CC(C)c1ccc(Cc2nnc(NCCN3CCOCC3)[nH]c2=O)cc1.
What is the InChIKey of 3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one?
The InChIKey is WYXOFUYYJGQHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14(2)16-5-3-15(4-6-16)13-17-18(25)21-19(23-22-17)20-7-8-24-9-11-26-12-10-24/h3-6,14H,7-13H2,1-2H3,(H2,20,21,23,25).
What are the key properties of 3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one?
3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one has a molecular weight of 357.46 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135561235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).