3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one

C16H20N4O2 — CID 135561122

IUPAC3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Cc2nnc(NC3CCCC3)[nH]c2=O)cc1
InChIInChI=1S/C16H20N4O2/c1-22-13-8-6-11(7-9-13)10-14-15(21)18-16(20-19-14)17-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H2,17,18,20,21)
InChIKeyJZYJQTDOZJEOCW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.12
Rot. Bonds5

About 3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one

3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one (PubChem CID 135561122) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
PubChem CID135561122
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Cc2nnc(NC3CCCC3)[nH]c2=O)cc1
InChIInChI=1S/C16H20N4O2/c1-22-13-8-6-11(7-9-13)10-14-15(21)18-16(20-19-14)17-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H2,17,18,20,21)
InChIKeyJZYJQTDOZJEOCW-UHFFFAOYSA-N
XLogP2.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-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

6-benzyl-3-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135506051
3-((2-hydroxyethyl)amino)-6-(4-methoxybenzyl)-1,2,4-triazin-5(4H)-one
CID 135561200
6-(3,4-Dimethoxybenzyl)-3-[(2-hydroxyethyl)amino]-1,2,4-triazin-5-ol
CID 135652279
3-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-6-methyl-4H-[1,2,4]triazin-5-one
CID 135449672
6-(4-methoxybenzyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one
CID 135402066
6-(3,4-Dimethoxybenzyl)-3-[(2-methoxyethyl)amino]-1,2,4-triazin-5-ol
CID 135652092
6-(4-Methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46703014
6-(4-ethoxybenzyl)-3-morpholino-1,2,4-triazin-5(4H)-one
CID 135561218
3-((3,4-dimethoxyphenethyl)amino)-6-(4-fluorobenzyl)-1,2,4-triazin-5(4H)-one
CID 135686505
(2R)-2-[[amino-[[2-(4-methoxyphenyl)acetyl]amino]methylidene]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 90286643
3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-phenyl-1,2,4-triazin-5(4H)-one
CID 135511625
6-(4-ethoxybenzyl)-3-((2-morpholinoethyl)amino)-1,2,4-triazin-5(4H)-one
CID 135561239

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one (CID 135561122) is 3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one is COc1ccc(Cc2nnc(NC3CCCC3)[nH]c2=O)cc1.
What is the InChIKey of 3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one?
The InChIKey is JZYJQTDOZJEOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-13-8-6-11(7-9-13)10-14-15(21)18-16(20-19-14)17-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H2,17,18,20,21).
What are the key properties of 3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one?
3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one has a molecular weight of 300.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135561122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).