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

C11H11ClN4O — CID 135656467

IUPAC3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NCc2ccccc2Cl)[nH]c1=O
InChIInChI=1S/C11H11ClN4O/c1-7-10(17)14-11(16-15-7)13-6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H2,13,14,16,17)
InChIKeyNVTFRPNIYOVHLC-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.74
Rot. Bonds3

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

3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135656467) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135656467
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NCc2ccccc2Cl)[nH]c1=O
InChIInChI=1S/C11H11ClN4O/c1-7-10(17)14-11(16-15-7)13-6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H2,13,14,16,17)
InChIKeyNVTFRPNIYOVHLC-UHFFFAOYSA-N
XLogP1.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(butylamino)-6-[(4-chlorophenyl)methyl]-2H-1,2,4-triazin-5-one
CID 135652277
N-(2-chlorobenzyl)-2-((6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamide
CID 135472822
4H-[1,2,4]Triazin-5-one, 4-amino-3-benzylamino-6-methyl-
CID 753531
3-[(4-Fluorobenzyl)amino]-6-methyl-1,2,4-triazin-5-ol
CID 135445392
3-(benzylamino)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135453550
3-[2-(4-chlorophenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
CID 136363179
(R)-3-(3-aminopiperidin-1-yl)-4-(2-chloro-5-fluorobenzyl)-6-methyl-1,2,4-triazin-5(4H)-one
CID 53258444
3-(3-Aminopiperidin-1-yl)-4-[(2-chloro-5-fluorophenyl)methyl]-6-methyl-1,2,4-triazin-5-one
CID 67251732
6-Methyl-3-[(1-phenylethyl)amino]-1,2,4-triazin-5-ol
CID 135454573
3-[(4-chlorophenyl)methylamino]-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136780192
3-[(2-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one
CID 136780281
6-Methyl-3-[(4-methylbenzyl)amino]-1,2,4-triazin-5-ol
CID 135445424

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one (CID 135656467) is 3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(NCc2ccccc2Cl)[nH]c1=O.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is NVTFRPNIYOVHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-10(17)14-11(16-15-7)13-6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H2,13,14,16,17).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 250.69 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135656467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).