4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol

C15H20N4O — CID 105362499

IUPAC4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol
SMILESCCc1nnc(NCCc2ccc(O)cc2)nc1CC
InChIInChI=1S/C15H20N4O/c1-3-13-14(4-2)18-19-15(17-13)16-10-9-11-5-7-12(20)8-6-11/h5-8,20H,3-4,9-10H2,1-2H3,(H,16,17,19)
InChIKeyNUCLZWNOGDEMRI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.36
Rot. Bonds6

About 4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol

4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol (PubChem CID 105362499) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol
PubChem CID105362499
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol
SMILESCCc1nnc(NCCc2ccc(O)cc2)nc1CC
InChIInChI=1S/C15H20N4O/c1-3-13-14(4-2)18-19-15(17-13)16-10-9-11-5-7-12(20)8-6-11/h5-8,20H,3-4,9-10H2,1-2H3,(H,16,17,19)
InChIKeyNUCLZWNOGDEMRI-UHFFFAOYSA-N
XLogP2.36
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol 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

N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide
CID 114388199
5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
CID 105362652
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine
CID 105362741
5,6-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 106544157
4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80776333
N-(5,6-diethyl-1,2,4-triazin-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 105362365
5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 105362496
4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797099
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658
N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol (CID 105362499) is 4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol is CCc1nnc(NCCc2ccc(O)cc2)nc1CC.
What is the InChIKey of 4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol?
The InChIKey is NUCLZWNOGDEMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13-14(4-2)18-19-15(17-13)16-10-9-11-5-7-12(20)8-6-11/h5-8,20H,3-4,9-10H2,1-2H3,(H,16,17,19).
What are the key properties of 4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol?
4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol has a molecular weight of 272.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol is sourced from PubChem (CID 105362499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).