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

C15H17FN4O — CID 135561124

IUPAC3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NC2CCCC2)nnc1Cc1ccc(F)cc1
InChIInChI=1S/C15H17FN4O/c16-11-7-5-10(6-8-11)9-13-14(21)18-15(20-19-13)17-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H2,17,18,20,21)
InChIKeyAJOANODYZNELJF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.25
Rot. Bonds4

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

3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one (PubChem CID 135561124) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one
PubChem CID135561124
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NC2CCCC2)nnc1Cc1ccc(F)cc1
InChIInChI=1S/C15H17FN4O/c16-11-7-5-10(6-8-11)9-13-14(21)18-15(20-19-13)17-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H2,17,18,20,21)
InChIKeyAJOANODYZNELJF-UHFFFAOYSA-N
XLogP2.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-3-((2-hydroxyethyl)amino)-1,2,4-triazin-5(4H)-one
CID 135515371
6-Benzyl-3-[(2-methoxyethyl)amino]-1,2,4-triazin-5-ol
CID 135652589
6-benzyl-3-(cyclohexylamino)-1,2,4-triazin-5(4H)-one
CID 135510453
6-(4-Fluorobenzyl)-3-(prop-2-en-1-ylamino)-1,2,4-triazin-5-ol
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-ol
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-[2-(4-fluorophenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
CID 136363291
3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one
CID 154400027
6-Benzyl-3-[(1-phenylethyl)amino]-1,2,4-triazin-5-ol
CID 135651883
2-[[(N-cyclopent-3-en-1-yl-N'-methylcarbamimidoyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 109771205

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one (CID 135561124) is 3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one is O=c1[nH]c(NC2CCCC2)nnc1Cc1ccc(F)cc1.
What is the InChIKey of 3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one?
The InChIKey is AJOANODYZNELJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-11-7-5-10(6-8-11)9-13-14(21)18-15(20-19-13)17-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H2,17,18,20,21).
What are the key properties of 3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one?
3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one has a molecular weight of 288.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135561124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).