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

C12H15N5O — CID 136920355

IUPAC3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCNCCNc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H15N5O/c1-13-7-8-14-12-15-11(18)10(16-17-12)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3,(H2,14,15,17,18)
InChIKeyAUBOSBXHMLUQQS-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.46
Rot. Bonds5

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

3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 136920355) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
PubChem CID136920355
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCNCCNc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H15N5O/c1-13-7-8-14-12-15-11(18)10(16-17-12)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3,(H2,14,15,17,18)
InChIKeyAUBOSBXHMLUQQS-UHFFFAOYSA-N
XLogP0.46
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135612014
3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135511625
3-(butylamino)-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136779808
6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one
CID 136780374
3-[3-(dimethylamino)propylamino]-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136779950
3-(4-aminoanilino)-6-phenyl-4H-1,2,4-triazin-5-one
CID 135882629
6-phenyl-3-[2-(2-phenylprop-1-enyl)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135400729
3-(3,5-dichloroanilino)-6-phenyl-4H-1,2,4-triazin-5-one
CID 135561276
3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135773797
6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135530273
6-phenyl-3-[4-(trifluoromethyl)anilino]-4H-1,2,4-triazin-5-one
CID 135658985
3-(2,5-difluoroanilino)-6-phenyl-4H-1,2,4-triazin-5-one
CID 136779310

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one (CID 136920355) is 3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one is CNCCNc1nnc(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is AUBOSBXHMLUQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-13-7-8-14-12-15-11(18)10(16-17-12)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3,(H2,14,15,17,18).
What are the key properties of 3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one?
3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 245.29 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136920355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).