4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one

C16H15N5O — CID 70389749

IUPAC4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one
SMILESNN(c1ccccc1)c1ncn(Cc2ccccc2)c(=O)n1
InChIInChI=1S/C16H15N5O/c17-21(14-9-5-2-6-10-14)15-18-12-20(16(22)19-15)11-13-7-3-1-4-8-13/h1-10,12H,11,17H2
InChIKeyCUQDUUXHAJYYKM-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.70
Rot. Bonds4

About 4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one

4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one (PubChem CID 70389749) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one
PubChem CID70389749
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one
SMILESNN(c1ccccc1)c1ncn(Cc2ccccc2)c(=O)n1
InChIInChI=1S/C16H15N5O/c17-21(14-9-5-2-6-10-14)15-18-12-20(16(22)19-15)11-13-7-3-1-4-8-13/h1-10,12H,11,17H2
InChIKeyCUQDUUXHAJYYKM-UHFFFAOYSA-N
XLogP1.70
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide
CID 54557148
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(1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate
CID 21089053
3,7-dibenzylpurin-2-one
CID 69156576
4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
CID 57128477
5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one
CID 13258439
1-benzyl-4-(diaminomethylamino)pyrimidin-2-one
CID 67218198
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
N-(1-benzyl-2-oxopyrimidin-4-yl)nitramide
CID 164606653
3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 110171162
1-benzyl-5-chloroimidazole-4-carboxylic acid
CID 68558649
1-benzyl-5-phenylpyrimidin-2-one
CID 14318835

Frequently Asked Questions

What is the IUPAC name of 4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one?
The IUPAC name of 4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one (CID 70389749) is 4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one?
The canonical SMILES for 4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one is NN(c1ccccc1)c1ncn(Cc2ccccc2)c(=O)n1.
What is the InChIKey of 4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one?
The InChIKey is CUQDUUXHAJYYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-21(14-9-5-2-6-10-14)15-18-12-20(16(22)19-15)11-13-7-3-1-4-8-13/h1-10,12H,11,17H2.
What are the key properties of 4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one?
4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one has a molecular weight of 293.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-aminoanilino)-1-benzyl-1,3,5-triazin-2-one is sourced from PubChem (CID 70389749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).