N-ethyl-1H-1,2,4-triazol-5-amine

C4H8N4 — CID 55284153

IUPACN-ethyl-1H-1,2,4-triazol-5-amine
SMILESCCNc1ncn[nH]1
InChIInChI=1S/C4H8N4/c1-2-5-4-6-3-7-8-4/h3H,2H2,1H3,(H2,5,6,7,8)
InChIKeyNFSSJGIUWDEDGU-UHFFFAOYSA-N
MW112.14 g/mol
LogP0.24
Rot. Bonds2

About N-ethyl-1H-1,2,4-triazol-5-amine

N-ethyl-1H-1,2,4-triazol-5-amine (PubChem CID 55284153) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is N-ethyl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-ethyl-1H-1,2,4-triazol-5-amine
PubChem CID55284153
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC NameN-ethyl-1H-1,2,4-triazol-5-amine
SMILESCCNc1ncn[nH]1
InChIInChI=1S/C4H8N4/c1-2-5-4-6-3-7-8-4/h3H,2H2,1H3,(H2,5,6,7,8)
InChIKeyNFSSJGIUWDEDGU-UHFFFAOYSA-N
XLogP0.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1H-1,2,4-triazol-5-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

2-(1H-1,2,4-triazol-5-ylamino)ethanol
CID 66490785
N-methyl-1H-1,2,4-triazol-5-amine
CID 566828
N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
CID 83813459
N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine
CID 17059912
N-butyl-1H-1,2,4-triazol-5-amine;phosphono dihydrogen phosphate
CID 174998951
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
5-chloro-N-ethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine
CID 80884924
N-ethyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)butan-2-amine
CID 64620627
N-[(5-chloro-2-ethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 6492066
N-[(5-bromo-2-ethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 15943327
2-ethoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216264
N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine
CID 65360398

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-ethyl-1H-1,2,4-triazol-5-amine (CID 55284153) is N-ethyl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-ethyl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-ethyl-1H-1,2,4-triazol-5-amine is CCNc1ncn[nH]1.
What is the InChIKey of N-ethyl-1H-1,2,4-triazol-5-amine?
The InChIKey is NFSSJGIUWDEDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-2-5-4-6-3-7-8-4/h3H,2H2,1H3,(H2,5,6,7,8).
What are the key properties of N-ethyl-1H-1,2,4-triazol-5-amine?
N-ethyl-1H-1,2,4-triazol-5-amine has a molecular weight of 112.14 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 55284153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).