6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine

C13H18N8 — CID 114786743

IUPAC6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(-n2nc(CC)nc2CC)c2[nH]cnc2n1
InChIInChI=1S/C13H18N8/c1-4-8-17-9(5-2)21(20-8)12-10-11(16-7-15-10)18-13(19-12)14-6-3/h7H,4-6H2,1-3H3,(H2,14,15,16,18,19)
InChIKeyASVLGIHTLYGZTE-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.49
Rot. Bonds5

About 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine

6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine (PubChem CID 114786743) has the molecular formula C13H18N8 and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine
PubChem CID114786743
Molecular FormulaC13H18N8
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(-n2nc(CC)nc2CC)c2[nH]cnc2n1
InChIInChI=1S/C13H18N8/c1-4-8-17-9(5-2)21(20-8)12-10-11(16-7-15-10)18-13(19-12)14-6-3/h7H,4-6H2,1-3H3,(H2,14,15,16,18,19)
InChIKeyASVLGIHTLYGZTE-UHFFFAOYSA-N
XLogP1.49
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-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-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-7H-purine
CID 104787488
5-bromo-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80868691
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine
CID 114786604
N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine
CID 114786701
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114785656
1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol
CID 114786006
N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine
CID 114783570
6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114784944
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80867775
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
1-[2-(ethylamino)-7H-purin-6-yl]-1,4-diazepan-5-one
CID 114785109
N-ethyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-7H-purin-2-amine
CID 102887635

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine?
The IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine (CID 114786743) is 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine.
What is the SMILES notation for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine?
The canonical SMILES for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine is CCNc1nc(-n2nc(CC)nc2CC)c2[nH]cnc2n1.
What is the InChIKey of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine?
The InChIKey is ASVLGIHTLYGZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8/c1-4-8-17-9(5-2)21(20-8)12-10-11(16-7-15-10)18-13(19-12)14-6-3/h7H,4-6H2,1-3H3,(H2,14,15,16,18,19).
What are the key properties of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine?
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine has a molecular weight of 286.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine is sourced from PubChem (CID 114786743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).