6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one

C16H20N4O — CID 135510453

IUPAC6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NC2CCCCC2)nnc1Cc1ccccc1
InChIInChI=1S/C16H20N4O/c21-15-14(11-12-7-3-1-4-8-12)19-20-16(18-15)17-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,17,18,20,21)
InChIKeyZWWXWDCWYUKXAM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.50
Rot. Bonds4

About 6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one

6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135510453) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one
PubChem CID135510453
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NC2CCCCC2)nnc1Cc1ccccc1
InChIInChI=1S/C16H20N4O/c21-15-14(11-12-7-3-1-4-8-12)19-20-16(18-15)17-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,17,18,20,21)
InChIKeyZWWXWDCWYUKXAM-UHFFFAOYSA-N
XLogP2.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(butylamino)-6-[(4-chlorophenyl)methyl]-2H-1,2,4-triazin-5-one
CID 135652277
6-benzyl-3-[(2E)-2-heptylidenehydrazinyl]-2H-1,2,4-triazin-5-one
CID 135479797
6-benzyl-3-[(2E)-2-octylidenehydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135487277
6-benzyl-3-((2-hydroxyethyl)amino)-1,2,4-triazin-5(4H)-one
CID 135515371
3-(3-hydroxypropylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561187
6-Benzyl-3-[(2-methoxyethyl)amino]-1,2,4-triazin-5-ol
CID 135652589
3-(allylamino)-6-[(p-fluorophenyl)methyl]-1,2,4-triazin-5(4H)-one
CID 135561173
3-(allylamino)-6-(4-isopropylbenzyl)-1,2,4-triazin-5(4H)-one
CID 135561172
6-methyl-3-[(2-phenylethyl)amino]-1,2,4-triazin-5(4H)-one
CID 135449193
3-(cyclopentylamino)-6-(4-isopropylbenzyl)-1,2,4-triazin-5(4H)-one
CID 135561123
3-(cyclohexylamino)-6-(4-methylbenzyl)-1,2,4-triazin-5(4H)-one
CID 135760284
3-(cyclopentylamino)-6-(4-fluorobenzyl)-1,2,4-triazin-5(4H)-one
CID 135561124

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one (CID 135510453) is 6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one is O=c1[nH]c(NC2CCCCC2)nnc1Cc1ccccc1.
What is the InChIKey of 6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is ZWWXWDCWYUKXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-15-14(11-12-7-3-1-4-8-12)19-20-16(18-15)17-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,17,18,20,21).
What are the key properties of 6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one?
6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 284.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-(cyclohexylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135510453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).