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

C10H20N6 — CID 66274506

IUPAC3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCCC(C)N1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C10H20N6/c1-3-8(2)15-4-6-16(7-5-15)10-12-9(11)13-14-10/h8H,3-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyIFXBTNQFERLOGL-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.31
Rot. Bonds3

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

3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 66274506) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID66274506
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCCC(C)N1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C10H20N6/c1-3-8(2)15-4-6-16(7-5-15)10-12-9(11)13-14-10/h8H,3-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyIFXBTNQFERLOGL-UHFFFAOYSA-N
XLogP0.31
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-butan-2-ylpiperazin-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-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine (CID 66274506) is 3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine is CCC(C)N1CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is IFXBTNQFERLOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-3-8(2)15-4-6-16(7-5-15)10-12-9(11)13-14-10/h8H,3-7H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 224.31 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66274506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).