1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one

C15H17N5O2 — CID 164619406

IUPAC1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one
SMILESCC(=O)CNc1nc(NCC(C)=O)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N5O2/c1-10(21)8-16-14-18-13(12-6-4-3-5-7-12)19-15(20-14)17-9-11(2)22/h3-7H,8-9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyFHZINGWBSHWPJZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.54
Rot. Bonds7

About 1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one

1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one (PubChem CID 164619406) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one
PubChem CID164619406
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one
SMILESCC(=O)CNc1nc(NCC(C)=O)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N5O2/c1-10(21)8-16-14-18-13(12-6-4-3-5-7-12)19-15(20-14)17-9-11(2)22/h3-7H,8-9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyFHZINGWBSHWPJZ-UHFFFAOYSA-N
XLogP1.54
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one with MolForge

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Related Compounds

Benzoguanamine
CID 7064
1,3,5-Triazine-2,4-diamine, 6-phenyl-N,N,N',N'-tetramethyl-
CID 150777
N~2~,N~4~-Diethyl-6-phenyl-1,3,5-triazine-2,4-diamine
CID 16081
2-N,4-N-bis(but-3-enyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 117817328
4-Amino-2-benzylamino-6-phenyl-1,3,5-triazine
CID 892542
4-Butoxy-6-phenyl-1,3,5-triazin-2-amine
CID 2256009
s-Triazine, 2,4-bis(methyl-amino)-6-phenyl-
CID 220910
2-[[4-(2-Hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol
CID 23295141
2-[(4-Morpholin-4-yl-6-phenyl-1,3,5-triazin-2-yl)amino]acetic acid
CID 60161907
4-Methoxy-6-phenyl-1,3,5-triazin-2-amine
CID 35254
2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 155539485
2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 155547051

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one?
The IUPAC name of 1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one (CID 164619406) is 1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one.
What is the SMILES notation for 1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one?
The canonical SMILES for 1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one is CC(=O)CNc1nc(NCC(C)=O)nc(-c2ccccc2)n1.
What is the InChIKey of 1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one?
The InChIKey is FHZINGWBSHWPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10(21)8-16-14-18-13(12-6-4-3-5-7-12)19-15(20-14)17-9-11(2)22/h3-7H,8-9H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one?
1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one has a molecular weight of 299.33 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one is sourced from PubChem (CID 164619406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).