3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one

C14H19N5O — CID 136779233

IUPAC3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one
SMILESCCN(CC)c1ccc(Nc2nncc(=O)[nH]2)c(C)c1
InChIInChI=1S/C14H19N5O/c1-4-19(5-2)11-6-7-12(10(3)8-11)16-14-17-13(20)9-15-18-14/h6-9H,4-5H2,1-3H3,(H2,16,17,18,20)
InChIKeyUEGLCOAMPORXME-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.06
Rot. Bonds5

About 3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one

3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one (PubChem CID 136779233) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one
PubChem CID136779233
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one
SMILESCCN(CC)c1ccc(Nc2nncc(=O)[nH]2)c(C)c1
InChIInChI=1S/C14H19N5O/c1-4-19(5-2)11-6-7-12(10(3)8-11)16-14-17-13(20)9-15-18-14/h6-9H,4-5H2,1-3H3,(H2,16,17,18,20)
InChIKeyUEGLCOAMPORXME-UHFFFAOYSA-N
XLogP2.06
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[4-(diethylamino)-2-methylanilino]-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

2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one
CID 136779231
3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one
CID 135651963
2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one
CID 136779229
2-[4-(diethylamino)-2-methylanilino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779228
3-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135454370
3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135891519
3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960914
1-N-[3-(azepan-1-yl)-1,2,4-triazin-5-yl]-4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 112961452
3-N-[4-(diethylamino)-2-methylphenyl]-5-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950013
4-N,4-N-diethyl-2-methyl-1-N-[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]benzene-1,4-diamine
CID 112945940
3-N-benzyl-5-N-[4-(diethylamino)-2-methylphenyl]-1,2,4-triazine-3,5-diamine
CID 112947851
5-N-[4-(diethylamino)-2-methylphenyl]-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948862

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one (CID 136779233) is 3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one is CCN(CC)c1ccc(Nc2nncc(=O)[nH]2)c(C)c1.
What is the InChIKey of 3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one?
The InChIKey is UEGLCOAMPORXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-19(5-2)11-6-7-12(10(3)8-11)16-14-17-13(20)9-15-18-14/h6-9H,4-5H2,1-3H3,(H2,16,17,18,20).
What are the key properties of 3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one?
3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one has a molecular weight of 273.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136779233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).