N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine

C16H18N4 — CID 115945502

IUPACN,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2cccc3ccccc23)n1CC
InChIInChI=1S/C16H18N4/c1-3-17-16-19-18-15(20(16)4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3,(H,17,19)
InChIKeyAXAJTNNNZOQPNI-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.55
Rot. Bonds4

About N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine

N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine (PubChem CID 115945502) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
PubChem CID115945502
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2cccc3ccccc23)n1CC
InChIInChI=1S/C16H18N4/c1-3-17-16-19-18-15(20(16)4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3,(H,17,19)
InChIKeyAXAJTNNNZOQPNI-UHFFFAOYSA-N
XLogP3.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine 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,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine
CID 115945460
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889
5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 107938614
2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol
CID 136926765
N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine
CID 112596888
5-(1,3-dimethylpyrazol-4-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 102801445
N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine
CID 112596811
5-(2-amino-4-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597577
5-(2-chloro-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596918
3-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-5-naphthalen-1-yl-1,2,4-triazole
CID 57475258
N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine
CID 112596739
5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596641

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine (CID 115945502) is N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine is CCNc1nnc(-c2cccc3ccccc23)n1CC.
What is the InChIKey of N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine?
The InChIKey is AXAJTNNNZOQPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-17-16-19-18-15(20(16)4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3,(H,17,19).
What are the key properties of N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine?
N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine has a molecular weight of 266.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 115945502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).