6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one

C16H21N5O — CID 23412049

IUPAC6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C16H21N5O/c1-11-7-9-21(10-8-11)14-5-3-13(4-6-14)17-15-12(2)19-20-16(22)18-15/h3-6,11H,7-10H2,1-2H3,(H2,17,18,20,22)
InChIKeyOLBVIFZIELMGLU-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.45
Rot. Bonds3

About 6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one

6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one (PubChem CID 23412049) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one
PubChem CID23412049
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C16H21N5O/c1-11-7-9-21(10-8-11)14-5-3-13(4-6-14)17-15-12(2)19-20-16(22)18-15/h3-6,11H,7-10H2,1-2H3,(H2,17,18,20,22)
InChIKeyOLBVIFZIELMGLU-UHFFFAOYSA-N
XLogP2.45
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
CID 2792518
N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
CID 725428
7-[4-(4-methylpiperidin-1-yl)anilino]-4H-1,4-benzoxazin-3-one
CID 167300314
2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112870788
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112878930
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109361116
methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate
CID 113035718
1,2-dimethyl-6-[4-(4-methylpiperidin-1-yl)anilino]indazol-3-one
CID 167300552
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809840
6-iodo-N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
CID 23822629
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
CID 113021097

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one?
The IUPAC name of 6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one (CID 23412049) is 6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one?
The canonical SMILES for 6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one is Cc1n[nH]c(=O)nc1Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one?
The InChIKey is OLBVIFZIELMGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-7-9-21(10-8-11)14-5-3-13(4-6-14)17-15-12(2)19-20-16(22)18-15/h3-6,11H,7-10H2,1-2H3,(H2,17,18,20,22).
What are the key properties of 6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one?
6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one has a molecular weight of 299.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 23412049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).