3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine

C8H15N5 — CID 79187063

IUPAC3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCC1CN(c2n[nH]c(N)n2)CC1C
InChIInChI=1S/C8H15N5/c1-5-3-13(4-6(5)2)8-10-7(9)11-12-8/h5-6H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyXNYGZDZTXCIPAU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.48
Rot. Bonds1

About 3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine

3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 79187063) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID79187063
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCC1CN(c2n[nH]c(N)n2)CC1C
InChIInChI=1S/C8H15N5/c1-5-3-13(4-6(5)2)8-10-7(9)11-12-8/h5-6H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyXNYGZDZTXCIPAU-UHFFFAOYSA-N
XLogP0.48
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dimethylpyrrolidin-1-yl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine (CID 79187063) is 3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine is CC1CN(c2n[nH]c(N)n2)CC1C.
What is the InChIKey of 3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is XNYGZDZTXCIPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-5-3-13(4-6(5)2)8-10-7(9)11-12-8/h5-6H,3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 181.24 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 79187063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).