6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine

C16H27ClN6 — CID 118189823

IUPAC6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESCCC(CCN1CCN(c2nnc(Cl)c(N)n2)CC1)C1CCC1
InChIInChI=1S/C16H27ClN6/c1-2-12(13-4-3-5-13)6-7-22-8-10-23(11-9-22)16-19-15(18)14(17)20-21-16/h12-13H,2-11H2,1H3,(H2,18,19,21)
InChIKeyAIVFXPSHIQUNMX-UHFFFAOYSA-N
MW338.89 g/mol
LogP2.45
Rot. Bonds6

About 6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine

6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine (PubChem CID 118189823) has the molecular formula C16H27ClN6 and a molecular weight of 338.89 g/mol. Its IUPAC name is 6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine
PubChem CID118189823
Molecular FormulaC16H27ClN6
Molecular Weight338.89 g/mol
Exact Mass338.20
IUPAC Name6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESCCC(CCN1CCN(c2nnc(Cl)c(N)n2)CC1)C1CCC1
InChIInChI=1S/C16H27ClN6/c1-2-12(13-4-3-5-13)6-7-22-8-10-23(11-9-22)16-19-15(18)14(17)20-21-16/h12-13H,2-11H2,1H3,(H2,18,19,21)
InChIKeyAIVFXPSHIQUNMX-UHFFFAOYSA-N
XLogP2.45
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.89
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-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 6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The IUPAC name of 6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine (CID 118189823) is 6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for 6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine is CCC(CCN1CCN(c2nnc(Cl)c(N)n2)CC1)C1CCC1.
What is the InChIKey of 6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The InChIKey is AIVFXPSHIQUNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN6/c1-2-12(13-4-3-5-13)6-7-22-8-10-23(11-9-22)16-19-15(18)14(17)20-21-16/h12-13H,2-11H2,1H3,(H2,18,19,21).
What are the key properties of 6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine has a molecular weight of 338.89 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(3-cyclobutylpentyl)piperazin-1-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 118189823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).